N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide

C17H15ClN2O — CID 62878231

IUPACN-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-15-8-6-13(7-9-15)10-11-20-17(21)16(12-19)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,20,21)
InChIKeyHRVTXIIMRBRDPA-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide (PubChem CID 62878231) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
PubChem CID62878231
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-15-8-6-13(7-9-15)10-11-20-17(21)16(12-19)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,20,21)
InChIKeyHRVTXIIMRBRDPA-UHFFFAOYSA-N
XLogP3.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 132908904
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide
CID 22082561
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide (CID 62878231) is N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide is N#CC(C(=O)NCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide?
The InChIKey is HRVTXIIMRBRDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-8-6-13(7-9-15)10-11-20-17(21)16(12-19)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide has a molecular weight of 298.77 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide is sourced from PubChem (CID 62878231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).