N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide

C14H17BrN2O — CID 81292095

IUPACN-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H17BrN2O/c1-3-5-11(9-16)14(18)17-13-7-6-12(15)8-10(13)4-2/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyDEKLOLXDBUBRSR-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.89
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide

N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide (PubChem CID 81292095) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
PubChem CID81292095
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H17BrN2O/c1-3-5-11(9-16)14(18)17-13-7-6-12(15)8-10(13)4-2/h6-8,11H,3-5H2,1-2H3,(H,17,18)
InChIKeyDEKLOLXDBUBRSR-UHFFFAOYSA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
CID 81271570
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
N-(2-bromo-5-methylphenyl)-2-cyanopentanamide
CID 82757658
N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
CID 107808316
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
CID 107592367
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
N-(4-bromo-3-chlorophenyl)-2-cyanopentanamide
CID 107620353
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide (CID 81292095) is N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide is CCCC(C#N)C(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide?
The InChIKey is DEKLOLXDBUBRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-5-11(9-16)14(18)17-13-7-6-12(15)8-10(13)4-2/h6-8,11H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide?
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide has a molecular weight of 309.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide is sourced from PubChem (CID 81292095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).