5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide

C12H16BrClN2O — CID 113441065

IUPAC5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c1-8(3-2-6-15)12(17)16-11-5-4-9(14)7-10(11)13/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyIJIBTEAPFTYHJX-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.42
Rot. Bonds5

About 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide

5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide (PubChem CID 113441065) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
PubChem CID113441065
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c1-8(3-2-6-15)12(17)16-11-5-4-9(14)7-10(11)13/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyIJIBTEAPFTYHJX-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide 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

5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 81264280
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide (CID 113441065) is 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide?
The InChIKey is IJIBTEAPFTYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-8(3-2-6-15)12(17)16-11-5-4-9(14)7-10(11)13/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide?
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide has a molecular weight of 319.63 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide is sourced from PubChem (CID 113441065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).