N-(3-amino-2-methylphenyl)-4-cyanobenzamide

C15H13N3O — CID 16781940

IUPACN-(3-amino-2-methylphenyl)-4-cyanobenzamide
SMILESCc1c(N)cccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-10-13(17)3-2-4-14(10)18-15(19)12-7-5-11(9-16)6-8-12/h2-8H,17H2,1H3,(H,18,19)
InChIKeyZGXLVSCVCFVNNC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.70
Rot. Bonds2

About N-(3-amino-2-methylphenyl)-4-cyanobenzamide

N-(3-amino-2-methylphenyl)-4-cyanobenzamide (PubChem CID 16781940) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-cyanobenzamide
PubChem CID16781940
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(3-amino-2-methylphenyl)-4-cyanobenzamide
SMILESCc1c(N)cccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-10-13(17)3-2-4-14(10)18-15(19)12-7-5-11(9-16)6-8-12/h2-8H,17H2,1H3,(H,18,19)
InChIKeyZGXLVSCVCFVNNC-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

N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
CID 104756918
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
(3-amino-2-methylphenyl)urea
CID 16770559
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
CID 63723423
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
CID 43442938
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
CID 43146782

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-cyanobenzamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-cyanobenzamide (CID 16781940) is N-(3-amino-2-methylphenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-cyanobenzamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-cyanobenzamide is Cc1c(N)cccc1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-cyanobenzamide?
The InChIKey is ZGXLVSCVCFVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-13(17)3-2-4-14(10)18-15(19)12-7-5-11(9-16)6-8-12/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-4-cyanobenzamide?
N-(3-amino-2-methylphenyl)-4-cyanobenzamide 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 N-(3-amino-2-methylphenyl)-4-cyanobenzamide is sourced from PubChem (CID 16781940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).