N-(3-cyanophenyl)-4-propan-2-ylbenzamide

C17H16N2O — CID 2552298

IUPACN-(3-cyanophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O/c1-12(2)14-6-8-15(9-7-14)17(20)19-16-5-3-4-13(10-16)11-18/h3-10,12H,1-2H3,(H,19,20)
InChIKeyJEQQGLDDKPEXKT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.93
Rot. Bonds3

About N-(3-cyanophenyl)-4-propan-2-ylbenzamide

N-(3-cyanophenyl)-4-propan-2-ylbenzamide (PubChem CID 2552298) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-propan-2-ylbenzamide
PubChem CID2552298
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(3-cyanophenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O/c1-12(2)14-6-8-15(9-7-14)17(20)19-16-5-3-4-13(10-16)11-18/h3-10,12H,1-2H3,(H,19,20)
InChIKeyJEQQGLDDKPEXKT-UHFFFAOYSA-N
XLogP3.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-propan-2-ylbenzamide (CID 2552298) is N-(3-cyanophenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-propan-2-ylbenzamide?
The InChIKey is JEQQGLDDKPEXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(2)14-6-8-15(9-7-14)17(20)19-16-5-3-4-13(10-16)11-18/h3-10,12H,1-2H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-4-propan-2-ylbenzamide?
N-(3-cyanophenyl)-4-propan-2-ylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 2552298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).