4-amino-N-(3-cyano-4-methoxyphenyl)benzamide

C15H13N3O2 — CID 23791470

IUPAC4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)cc2)cc1C#N
InChIInChI=1S/C15H13N3O2/c1-20-14-7-6-13(8-11(14)9-16)18-15(19)10-2-4-12(17)5-3-10/h2-8H,17H2,1H3,(H,18,19)
InChIKeyYDVYOPUOGBLHMU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds3

About 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide

4-amino-N-(3-cyano-4-methoxyphenyl)benzamide (PubChem CID 23791470) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
PubChem CID23791470
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)cc2)cc1C#N
InChIInChI=1S/C15H13N3O2/c1-20-14-7-6-13(8-11(14)9-16)18-15(19)10-2-4-12(17)5-3-10/h2-8H,17H2,1H3,(H,18,19)
InChIKeyYDVYOPUOGBLHMU-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

4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167804046
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 141478656
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide (CID 23791470) is 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N)cc2)cc1C#N.
What is the InChIKey of 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide?
The InChIKey is YDVYOPUOGBLHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-7-6-13(8-11(14)9-16)18-15(19)10-2-4-12(17)5-3-10/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide?
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide 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 4-amino-N-(3-cyano-4-methoxyphenyl)benzamide is sourced from PubChem (CID 23791470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).