N-[4-(cyanomethyl)phenyl]-2-phenylacetamide

C16H14N2O — CID 674697

IUPACN-[4-(cyanomethyl)phenyl]-2-phenylacetamide
SMILESN#CCc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c17-11-10-13-6-8-15(9-7-13)18-16(19)12-14-4-2-1-3-5-14/h1-9H,10,12H2,(H,18,19)
InChIKeyAKOIXQBFOLGHOJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.93
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-phenylacetamide

N-[4-(cyanomethyl)phenyl]-2-phenylacetamide (PubChem CID 674697) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-phenylacetamide
PubChem CID674697
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-phenylacetamide
SMILESN#CCc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H14N2O/c17-11-10-13-6-8-15(9-7-13)18-16(19)12-14-4-2-1-3-5-14/h1-9H,10,12H2,(H,18,19)
InChIKeyAKOIXQBFOLGHOJ-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(cyanomethyl)phenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 28593747
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 43709065
N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
CID 1279971
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide
CID 154873833
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-phenylacetamide (CID 674697) is N-[4-(cyanomethyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-phenylacetamide is N#CCc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-phenylacetamide?
The InChIKey is AKOIXQBFOLGHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-11-10-13-6-8-15(9-7-13)18-16(19)12-14-4-2-1-3-5-14/h1-9H,10,12H2,(H,18,19).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-phenylacetamide?
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide has a molecular weight of 250.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 674697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).