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27946-19-6 molecular structure
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N-benzyl-2-chloro-2-phenylacetamide

ChemBase ID: 250579
Molecular Formular: C15H14ClNO
Molecular Mass: 259.73076
Monoisotopic Mass: 259.07639175
SMILES and InChIs

SMILES:
C(=O)(NCc1ccccc1)C(c1ccccc1)Cl
Canonical SMILES:
ClC(c1ccccc1)C(=O)NCc1ccccc1
InChI:
InChI=1S/C15H14ClNO/c16-14(13-9-5-2-6-10-13)15(18)17-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)
InChIKey:
PPKWFXHUJIGMNJ-UHFFFAOYSA-N

Cite this record

CBID:250579 http://www.chembase.cn/molecule-250579.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-2-chloro-2-phenylacetamide
IUPAC Traditional name
N-benzyl-2-chloro-2-phenylacetamide
Synonyms
N-benzyl-2-chloro-2-phenylacetamide
CAS Number
27946-19-6
MDL Number
MFCD00439006
PubChem SID
164306489
PubChem CID
147187

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14956 external link Add to cart Please log in.
Data Source Data ID
PubChem 147187 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.085648  H Acceptors
H Donor LogD (pH = 5.5) 3.391634 
LogD (pH = 7.4) 3.3916333  Log P 3.391634 
Molar Refractivity 73.0863 cm3 Polarizability 28.467678 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
96 - 98°C expand Show data source
Hydrophobicity(logP)
3.531 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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