N-(3-cyanophenyl)-4-ethylbenzamide

C16H14N2O — CID 2552285

IUPACN-(3-cyanophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H14N2O/c1-2-12-6-8-14(9-7-12)16(19)18-15-5-3-4-13(10-15)11-17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyASTVWHFQASUSNL-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.37
Rot. Bonds3

About N-(3-cyanophenyl)-4-ethylbenzamide

N-(3-cyanophenyl)-4-ethylbenzamide (PubChem CID 2552285) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-ethylbenzamide
PubChem CID2552285
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(3-cyanophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H14N2O/c1-2-12-6-8-14(9-7-12)16(19)18-15-5-3-4-13(10-15)11-17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyASTVWHFQASUSNL-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(3-ethynylphenyl)benzamide
CID 18168132
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775585
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
CID 9245616

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-ethylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-ethylbenzamide (CID 2552285) is N-(3-cyanophenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-ethylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-ethylbenzamide?
The InChIKey is ASTVWHFQASUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-12-6-8-14(9-7-12)16(19)18-15-5-3-4-13(10-15)11-17/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-4-ethylbenzamide?
N-(3-cyanophenyl)-4-ethylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 3.37, 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-ethylbenzamide is sourced from PubChem (CID 2552285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).