2-bromo-4-chloro-5-methylhexanamide

C7H13BrClNO — CID 137380324

IUPAC2-bromo-4-chloro-5-methylhexanamide
SMILESCC(C)C(Cl)CC(Br)C(N)=O
InChIInChI=1S/C7H13BrClNO/c1-4(2)6(9)3-5(8)7(10)11/h4-6H,3H2,1-2H3,(H2,10,11)
InChIKeyUNRPQNZSLBMRKS-UHFFFAOYSA-N
MW242.54 g/mol
LogP1.89
Rot. Bonds4

About 2-bromo-4-chloro-5-methylhexanamide

2-bromo-4-chloro-5-methylhexanamide (PubChem CID 137380324) has the molecular formula C7H13BrClNO and a molecular weight of 242.54 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-methylhexanamide.

Molecular Properties

Compound Name2-bromo-4-chloro-5-methylhexanamide
PubChem CID137380324
Molecular FormulaC7H13BrClNO
Molecular Weight242.54 g/mol
Exact Mass240.99
IUPAC Name2-bromo-4-chloro-5-methylhexanamide
SMILESCC(C)C(Cl)CC(Br)C(N)=O
InChIInChI=1S/C7H13BrClNO/c1-4(2)6(9)3-5(8)7(10)11/h4-6H,3H2,1-2H3,(H2,10,11)
InChIKeyUNRPQNZSLBMRKS-UHFFFAOYSA-N
XLogP1.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-4-chloro-5-methylhexanamide 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

(2S)-2-bromobutanamide
CID 51414846
bis(2-chloro-3-methylbutyl) carbonate
CID 162517104
2,4-dibromo-4-ethoxybutanamide
CID 91329189
2-chloro-4-methylpentanamide
CID 62224745
1,1-dichloroethane;urea
CID 158856998
2-bromo-5-oxohexanamide
CID 167014483
3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide
CID 173065374
4-[(4-amino-3-bromo-4-oxobutyl)disulfanyl]-2-bromobutanamide
CID 87506571
cyclopentane;2-methylpropanamide
CID 142523492
2-bromo-3,3-dimethylbutanamide
CID 3015203
2-phosphorosopropanamide;hydrate
CID 174974761
(2R,3S)-2-amino-3-chlorobutanamide
CID 71420306

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-methylhexanamide?
The IUPAC name of 2-bromo-4-chloro-5-methylhexanamide (CID 137380324) is 2-bromo-4-chloro-5-methylhexanamide.
What is the SMILES notation for 2-bromo-4-chloro-5-methylhexanamide?
The canonical SMILES for 2-bromo-4-chloro-5-methylhexanamide is CC(C)C(Cl)CC(Br)C(N)=O.
What is the InChIKey of 2-bromo-4-chloro-5-methylhexanamide?
The InChIKey is UNRPQNZSLBMRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrClNO/c1-4(2)6(9)3-5(8)7(10)11/h4-6H,3H2,1-2H3,(H2,10,11).
What are the key properties of 2-bromo-4-chloro-5-methylhexanamide?
2-bromo-4-chloro-5-methylhexanamide has a molecular weight of 242.54 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-methylhexanamide is sourced from PubChem (CID 137380324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).