3-amino-N-(2-cyanophenyl)-4-methoxybenzamide

C15H13N3O2 — CID 16788313

IUPAC3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C#N)cc1N
InChIInChI=1S/C15H13N3O2/c1-20-14-7-6-10(8-12(14)17)15(19)18-13-5-3-2-4-11(13)9-16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyIKMMNOVPCOBJME-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide

3-amino-N-(2-cyanophenyl)-4-methoxybenzamide (PubChem CID 16788313) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
PubChem CID16788313
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C#N)cc1N
InChIInChI=1S/C15H13N3O2/c1-20-14-7-6-10(8-12(14)17)15(19)18-13-5-3-2-4-11(13)9-16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyIKMMNOVPCOBJME-UHFFFAOYSA-N
XLogP2.40
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 1045731
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 60861854
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 110486424
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide (CID 16788313) is 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C#N)cc1N.
What is the InChIKey of 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide?
The InChIKey is IKMMNOVPCOBJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-7-6-10(8-12(14)17)15(19)18-13-5-3-2-4-11(13)9-16/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide?
3-amino-N-(2-cyanophenyl)-4-methoxybenzamide has a molecular weight of 267.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanophenyl)-4-methoxybenzamide is sourced from PubChem (CID 16788313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).