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

C15H13N3O — CID 61291527

IUPAC5-amino-N-(4-cyanophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-10-2-5-12(17)8-14(10)15(19)18-13-6-3-11(9-16)4-7-13/h2-8H,17H2,1H3,(H,18,19)
InChIKeyHJPUVZOKYRZWHF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.70
Rot. Bonds2

About 5-amino-N-(4-cyanophenyl)-2-methylbenzamide

5-amino-N-(4-cyanophenyl)-2-methylbenzamide (PubChem CID 61291527) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-N-(4-cyanophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-cyanophenyl)-2-methylbenzamide
PubChem CID61291527
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-amino-N-(4-cyanophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-10-2-5-12(17)8-14(10)15(19)18-13-6-3-11(9-16)4-7-13/h2-8H,17H2,1H3,(H,18,19)
InChIKeyHJPUVZOKYRZWHF-UHFFFAOYSA-N
XLogP2.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.70
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

5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107021185
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-(4-aminophenyl)-2-methyl-5-nitrobenzamide
CID 63214788
4-amino-N-(4-aminophenyl)-2-cyanobenzamide
CID 19689750
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
5-[(4-cyanobenzoyl)amino]-2-methylbenzoyl chloride
CID 22667774
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-cyanophenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(4-cyanophenyl)-2-methylbenzamide (CID 61291527) is 5-amino-N-(4-cyanophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(4-cyanophenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(4-cyanophenyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 5-amino-N-(4-cyanophenyl)-2-methylbenzamide?
The InChIKey is HJPUVZOKYRZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-2-5-12(17)8-14(10)15(19)18-13-6-3-11(9-16)4-7-13/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(4-cyanophenyl)-2-methylbenzamide?
5-amino-N-(4-cyanophenyl)-2-methylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-cyanophenyl)-2-methylbenzamide is sourced from PubChem (CID 61291527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).