2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide

C22H17N3O3 — CID 8873523

IUPAC2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C22H17N3O3/c1-28-20-9-5-4-8-19(20)25-22(27)17-6-2-3-7-18(17)24-21(26)16-12-10-15(14-23)11-13-16/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyIGVDNXXACMAUGD-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.07
Rot. Bonds5

About 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide

2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 8873523) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
PubChem CID8873523
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C22H17N3O3/c1-28-20-9-5-4-8-19(20)25-22(27)17-6-2-3-7-18(17)24-21(26)16-12-10-15(14-23)11-13-16/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyIGVDNXXACMAUGD-UHFFFAOYSA-N
XLogP4.07
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244689
4-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244698
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
methyl 3-[(4-cyanobenzoyl)amino]-2-methoxybenzoate
CID 90119614
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide (CID 8873523) is 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is IGVDNXXACMAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-20-9-5-4-8-19(20)25-22(27)17-6-2-3-7-18(17)24-21(26)16-12-10-15(14-23)11-13-16/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide?
2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 8873523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).