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2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)propan-2-yl]acetamide
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ChemBase ID:
164051
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Molecular Formular:
C11H12Cl2N2O5
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Molecular Mass:
323.12938
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Monoisotopic Mass:
322.01232685
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SMILES and InChIs
SMILES:
c1cc(cc(c1)[C@@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
Canonical SMILES:
OC[C@H]([C@H](c1cccc(c1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
InChI:
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-2-1-3-7(4-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9+/m1/s1
InChIKey:
FTMJFHVKAXPFIY-BDAKNGLRSA-N
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Cite this record
CBID:164051 http://www.chembase.cn/molecule-164051.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)propan-2-yl]acetamide
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IUPAC Traditional name
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2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(3-nitrophenyl)propan-2-yl]acetamide
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Synonyms
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(R*,S*)-2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)ethyl]acetamide
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m-erythro-Chloramphenicol
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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7.494812
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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0.8748314
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LogD (pH = 7.4)
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0.66058975
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Log P
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0.8787035
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Molar Refractivity
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73.2007 cm3
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Polarizability
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27.81797 Å3
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Polar Surface Area
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115.38 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent