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

C12H12BrClN2O — CID 81271570

IUPACN-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H12BrClN2O/c1-2-3-8(7-15)12(17)16-11-5-4-9(14)6-10(11)13/h4-6,8H,2-3H2,1H3,(H,16,17)
InChIKeyRJXHSIATVHJJLX-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.98
Rot. Bonds4

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

N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide (PubChem CID 81271570) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
PubChem CID81271570
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H12BrClN2O/c1-2-3-8(7-15)12(17)16-11-5-4-9(14)6-10(11)13/h4-6,8H,2-3H2,1H3,(H,16,17)
InChIKeyRJXHSIATVHJJLX-UHFFFAOYSA-N
XLogP3.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
N-(2-bromo-5-methylphenyl)-2-cyanopentanamide
CID 82757658
N-(4-bromo-3-chlorophenyl)-2-cyanopentanamide
CID 107620353
N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
CID 107808316
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
CID 107592367
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
CID 81272164
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
CID 81028368
2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 81264280

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide (CID 81271570) is N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide is CCCC(C#N)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide?
The InChIKey is RJXHSIATVHJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-2-3-8(7-15)12(17)16-11-5-4-9(14)6-10(11)13/h4-6,8H,2-3H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide?
N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide has a molecular weight of 315.60 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide is sourced from PubChem (CID 81271570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).