6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide

C13H18BrClN2O — CID 81271124

IUPAC6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
SMILESCC(CCN)CCC(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2O/c1-9(6-7-16)2-5-13(18)17-12-8-10(15)3-4-11(12)14/h3-4,8-9H,2,5-7,16H2,1H3,(H,17,18)
InChIKeyKCLAIVOVYAGLAW-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.81
Rot. Bonds6

About 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide

6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide (PubChem CID 81271124) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
PubChem CID81271124
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
SMILESCC(CCN)CCC(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2O/c1-9(6-7-16)2-5-13(18)17-12-8-10(15)3-4-11(12)14/h3-4,8-9H,2,5-7,16H2,1H3,(H,17,18)
InChIKeyKCLAIVOVYAGLAW-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
CID 81272017
6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
CID 82867797
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
4-amino-5-(2-bromo-5-chloroanilino)-5-oxopentanoic acid
CID 81270730
6-amino-N-(5-iodo-2-methylphenyl)-4-methylhexanamide
CID 114257291

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide?
The IUPAC name of 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide (CID 81271124) is 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide is CC(CCN)CCC(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide?
The InChIKey is KCLAIVOVYAGLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-9(6-7-16)2-5-13(18)17-12-8-10(15)3-4-11(12)14/h3-4,8-9H,2,5-7,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide?
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide has a molecular weight of 333.66 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide is sourced from PubChem (CID 81271124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).