3-amino-N-(4-cyanophenyl)-5-methoxybenzamide

C15H13N3O2 — CID 78985323

IUPAC3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H13N3O2/c1-20-14-7-11(6-12(17)8-14)15(19)18-13-4-2-10(9-16)3-5-13/h2-8H,17H2,1H3,(H,18,19)
InChIKeyNYJJLGANFRUBGS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide

3-amino-N-(4-cyanophenyl)-5-methoxybenzamide (PubChem CID 78985323) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
PubChem CID78985323
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H13N3O2/c1-20-14-7-11(6-12(17)8-14)15(19)18-13-4-2-10(9-16)3-5-13/h2-8H,17H2,1H3,(H,18,19)
InChIKeyNYJJLGANFRUBGS-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-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
CID 82858988
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718
3,5-diamino-N-(4-ethynylphenyl)benzamide
CID 59572021
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide (CID 78985323) is 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide?
The InChIKey is NYJJLGANFRUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-7-11(6-12(17)8-14)15(19)18-13-4-2-10(9-16)3-5-13/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(4-cyanophenyl)-5-methoxybenzamide?
3-amino-N-(4-cyanophenyl)-5-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-(4-cyanophenyl)-5-methoxybenzamide is sourced from PubChem (CID 78985323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).