4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide

C11H12BrCl2NO — CID 114302596

IUPAC4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
SMILESCC(CCl)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-7(5-13)6-15-11(16)8-2-3-9(12)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyLJVJMYDPIBCNHU-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.71
Rot. Bonds4

About 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide

4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide (PubChem CID 114302596) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
PubChem CID114302596
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
SMILESCC(CCl)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-7(5-13)6-15-11(16)8-2-3-9(12)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyLJVJMYDPIBCNHU-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide 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

4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
CID 113368724
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
4-[(4-bromo-3-chlorobenzoyl)amino]-3-methoxybutanoic acid
CID 103153043
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide (CID 114302596) is 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide is CC(CCl)CNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide?
The InChIKey is LJVJMYDPIBCNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-7(5-13)6-15-11(16)8-2-3-9(12)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide?
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide has a molecular weight of 325.03 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide is sourced from PubChem (CID 114302596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).