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162104186 molecular structure
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2-chloro-N-(3-chloro-2-methylphenyl)-2-phenylacetamide

ChemBase ID: 72426
Molecular Formular: C15H13Cl2NO
Molecular Mass: 294.17582
Monoisotopic Mass: 293.0374194
SMILES and InChIs

SMILES:
C(=O)(Nc1c(c(Cl)ccc1)C)C(c1ccccc1)Cl
Canonical SMILES:
ClC(C(=O)Nc1cccc(c1C)Cl)c1ccccc1
InChI:
InChI=1S/C15H13Cl2NO/c1-10-12(16)8-5-9-13(10)18-15(19)14(17)11-6-3-2-4-7-11/h2-9,14H,1H3,(H,18,19)
InChIKey:
FDPHXNADXOXIHU-UHFFFAOYSA-N

Cite this record

CBID:72426 http://www.chembase.cn/molecule-72426.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
IUPAC Traditional name
2-chloro-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
Synonyms
2-Chloro-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
PubChem SID
162104186
PubChem CID
43212452

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
078050 external link Add to cart Please log in.
Data Source Data ID
PubChem 43212452 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.034988  H Acceptors
H Donor LogD (pH = 5.5) 4.8021955 
LogD (pH = 7.4) 4.8021946  Log P 4.8021955 
Molar Refractivity 79.8781 cm3 Polarizability 30.254303 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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