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162104248 molecular structure
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2-chloro-N-(2,3-dimethylphenyl)-2-phenylacetamide

ChemBase ID: 72439
Molecular Formular: C16H16ClNO
Molecular Mass: 273.75734
Monoisotopic Mass: 273.09204182
SMILES and InChIs

SMILES:
C(=O)(Nc1c(c(ccc1)C)C)C(c1ccccc1)Cl
Canonical SMILES:
ClC(C(=O)Nc1cccc(c1C)C)c1ccccc1
InChI:
InChI=1S/C16H16ClNO/c1-11-7-6-10-14(12(11)2)18-16(19)15(17)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,18,19)
InChIKey:
CQCPMTWRYFHGLB-UHFFFAOYSA-N

Cite this record

CBID:72439 http://www.chembase.cn/molecule-72439.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2,3-dimethylphenyl)-2-phenylacetamide
IUPAC Traditional name
2-chloro-N-(2,3-dimethylphenyl)-2-phenylacetamide
Synonyms
2-Chloro-N-(2,3-dimethylphenyl)-2-phenylacetamide
PubChem SID
162104248
PubChem CID
43212458

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
078063 external link Add to cart Please log in.
Data Source Data ID
PubChem 43212458 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.289666  H Acceptors
H Donor LogD (pH = 5.5) 4.711572 
LogD (pH = 7.4) 4.7115717  Log P 4.711572 
Molar Refractivity 80.1145 cm3 Polarizability 30.146353 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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