2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide

C16H13ClN2O — CID 62503408

IUPAC2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
SMILESN#Cc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C16H13ClN2O/c17-15-6-2-3-12(8-15)9-16(20)19-11-14-5-1-4-13(7-14)10-18/h1-8H,9,11H2,(H,19,20)
InChIKeyCYGAQUWHDIUVHX-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide

2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide (PubChem CID 62503408) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
PubChem CID62503408
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
SMILESN#Cc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C16H13ClN2O/c17-15-6-2-3-12(8-15)9-16(20)19-11-14-5-1-4-13(7-14)10-18/h1-8H,9,11H2,(H,19,20)
InChIKeyCYGAQUWHDIUVHX-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
3-(3-chlorophenyl)-2-[(3-cyanophenyl)methylamino]propanoic acid
CID 166226915
N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86926437
2-chloro-N-[(3-cyanophenyl)methylcarbamoyl]acetamide
CID 62313877
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-(5-amino-2-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 107337886

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide (CID 62503408) is 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide is N#Cc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide?
The InChIKey is CYGAQUWHDIUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-15-6-2-3-12(8-15)9-16(20)19-11-14-5-1-4-13(7-14)10-18/h1-8H,9,11H2,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide?
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide has a molecular weight of 284.75 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 62503408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).