2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide

C16H13N3O3 — CID 70065817

IUPAC2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(N)=O)c1
InChIInChI=1S/C16H13N3O3/c1-22-12-6-7-14(13(8-12)15(18)20)19-16(21)11-4-2-10(9-17)3-5-11/h2-8H,1H3,(H2,18,20)(H,19,21)
InChIKeyDTJZYDHWZUZDFQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.92
Rot. Bonds4

About 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide

2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide (PubChem CID 70065817) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide.

Molecular Properties

Compound Name2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
PubChem CID70065817
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(N)=O)c1
InChIInChI=1S/C16H13N3O3/c1-22-12-6-7-14(13(8-12)15(18)20)19-16(21)11-4-2-10(9-17)3-5-11/h2-8H,1H3,(H2,18,20)(H,19,21)
InChIKeyDTJZYDHWZUZDFQ-UHFFFAOYSA-N
XLogP1.92
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
5-methoxy-2-(methylamino)benzamide
CID 66991664
2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 8873523
methyl 2-[(4-cyanobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
CID 70006000
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide
CID 102087418
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-[2-acetyl-4-(thiophen-2-ylmethoxy)phenyl]-4-cyanobenzamide
CID 142203090
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide?
The IUPAC name of 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide (CID 70065817) is 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide.
What is the SMILES notation for 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide?
The canonical SMILES for 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide is COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(N)=O)c1.
What is the InChIKey of 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide?
The InChIKey is DTJZYDHWZUZDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-12-6-7-14(13(8-12)15(18)20)19-16(21)11-4-2-10(9-17)3-5-11/h2-8H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide?
2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide has a molecular weight of 295.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide is sourced from PubChem (CID 70065817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).