4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide

C22H17N3O2 — CID 51114705

IUPAC4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C22H17N3O2/c1-14-12-15(21(24)26)10-11-20(14)25-22(27)19-9-5-4-8-18(19)17-7-3-2-6-16(17)13-23/h2-12H,1H3,(H2,24,26)(H,25,27)
InChIKeyBJESLQABLSSGIA-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.88
Rot. Bonds4

About 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide

4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide (PubChem CID 51114705) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide
PubChem CID51114705
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C22H17N3O2/c1-14-12-15(21(24)26)10-11-20(14)25-22(27)19-9-5-4-8-18(19)17-7-3-2-6-16(17)13-23/h2-12H,1H3,(H2,24,26)(H,25,27)
InChIKeyBJESLQABLSSGIA-UHFFFAOYSA-N
XLogP3.88
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
4-[(2-amino-4-chlorobenzoyl)amino]-3-methylbenzamide
CID 62059537
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 55380831
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide?
The IUPAC name of 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide (CID 51114705) is 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide?
The InChIKey is BJESLQABLSSGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-12-15(21(24)26)10-11-20(14)25-22(27)19-9-5-4-8-18(19)17-7-3-2-6-16(17)13-23/h2-12H,1H3,(H2,24,26)(H,25,27).
What are the key properties of 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide?
4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide has a molecular weight of 355.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide is sourced from PubChem (CID 51114705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).