3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide

C22H17N3O2 — CID 17226453

IUPAC3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C#N)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H17N3O2/c1-15-11-12-17(22(27)24-19-10-6-5-9-18(19)14-23)13-20(15)25-21(26)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyHBFOPTLWHXZBIF-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.37
Rot. Bonds4

About 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide

3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide (PubChem CID 17226453) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
PubChem CID17226453
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C#N)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H17N3O2/c1-15-11-12-17(22(27)24-19-10-6-5-9-18(19)14-23)13-20(15)25-21(26)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyHBFOPTLWHXZBIF-UHFFFAOYSA-N
XLogP4.37
TPSA81.99 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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
CID 55632235
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide (CID 17226453) is 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C#N)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide?
The InChIKey is HBFOPTLWHXZBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-11-12-17(22(27)24-19-10-6-5-9-18(19)14-23)13-20(15)25-21(26)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide?
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide has a molecular weight of 355.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide is sourced from PubChem (CID 17226453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).