4-amino-N-(2-cyanophenyl)-N-methylbenzamide

C15H13N3O — CID 54296865

IUPAC4-amino-N-(2-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1ccccc1C#N
InChIInChI=1S/C15H13N3O/c1-18(14-5-3-2-4-12(14)10-16)15(19)11-6-8-13(17)9-7-11/h2-9H,17H2,1H3
InChIKeySBJPTUZQSGOHJW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-N-(2-cyanophenyl)-N-methylbenzamide

4-amino-N-(2-cyanophenyl)-N-methylbenzamide (PubChem CID 54296865) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanophenyl)-N-methylbenzamide
PubChem CID54296865
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-amino-N-(2-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1ccccc1C#N
InChIInChI=1S/C15H13N3O/c1-18(14-5-3-2-4-12(14)10-16)15(19)11-6-8-13(17)9-7-11/h2-9H,17H2,1H3
InChIKeySBJPTUZQSGOHJW-UHFFFAOYSA-N
XLogP2.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-phenylbenzamide
CID 4306081
3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 80644312
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
4-amino-N-(3-chloro-2-fluorophenyl)-N-methylbenzamide
CID 126649358
2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
CID 103857236
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
CID 115160993
N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 103841297
4-bromo-N-(2-cyanophenyl)-N-methyl-2-sulfanylbenzamide
CID 107032776
3-[(2-cyanophenyl)-methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369822
2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 115432690

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2-cyanophenyl)-N-methylbenzamide (CID 54296865) is 4-amino-N-(2-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-cyanophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)c1ccccc1C#N.
What is the InChIKey of 4-amino-N-(2-cyanophenyl)-N-methylbenzamide?
The InChIKey is SBJPTUZQSGOHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18(14-5-3-2-4-12(14)10-16)15(19)11-6-8-13(17)9-7-11/h2-9H,17H2,1H3.
What are the key properties of 4-amino-N-(2-cyanophenyl)-N-methylbenzamide?
4-amino-N-(2-cyanophenyl)-N-methylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 54296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).