3-amino-N-[(4-cyanophenyl)methyl]benzamide

C15H13N3O — CID 54937872

IUPAC3-amino-N-[(4-cyanophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C15H13N3O/c16-9-11-4-6-12(7-5-11)10-18-15(19)13-2-1-3-14(17)8-13/h1-8H,10,17H2,(H,18,19)
InChIKeyYXQQFWQXGKEWFW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.07
Rot. Bonds3

About 3-amino-N-[(4-cyanophenyl)methyl]benzamide

3-amino-N-[(4-cyanophenyl)methyl]benzamide (PubChem CID 54937872) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-N-[(4-cyanophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(4-cyanophenyl)methyl]benzamide
PubChem CID54937872
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-amino-N-[(4-cyanophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C15H13N3O/c16-9-11-4-6-12(7-5-11)10-18-15(19)13-2-1-3-14(17)8-13/h1-8H,10,17H2,(H,18,19)
InChIKeyYXQQFWQXGKEWFW-UHFFFAOYSA-N
XLogP2.07
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134035544
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
3-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;trihydrochloride
CID 119901627
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-cyanophenyl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(4-cyanophenyl)methyl]benzamide (CID 54937872) is 3-amino-N-[(4-cyanophenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(4-cyanophenyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(4-cyanophenyl)methyl]benzamide is N#Cc1ccc(CNC(=O)c2cccc(N)c2)cc1.
What is the InChIKey of 3-amino-N-[(4-cyanophenyl)methyl]benzamide?
The InChIKey is YXQQFWQXGKEWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-11-4-6-12(7-5-11)10-18-15(19)13-2-1-3-14(17)8-13/h1-8H,10,17H2,(H,18,19).
What are the key properties of 3-amino-N-[(4-cyanophenyl)methyl]benzamide?
3-amino-N-[(4-cyanophenyl)methyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-cyanophenyl)methyl]benzamide is sourced from PubChem (CID 54937872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).