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

C10H10BrCl2NO — CID 81263840

IUPACN-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
SMILESO=C(CCCCl)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrCl2NO/c11-8-6-7(13)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyZYPRPGLNXGNTJO-UHFFFAOYSA-N
MW311.01 g/mol
LogP4.06
Rot. Bonds4

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

N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide (PubChem CID 81263840) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
PubChem CID81263840
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC NameN-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
SMILESO=C(CCCCl)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrCl2NO/c11-8-6-7(13)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyZYPRPGLNXGNTJO-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide 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

N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
ethyl 3-bromo-4-(4-chlorobutanoylamino)benzoate
CID 55204822
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
(2-bromo-4-chlorophenyl)urea
CID 81003362
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide (CID 81263840) is N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide is O=C(CCCCl)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide?
The InChIKey is ZYPRPGLNXGNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c11-8-6-7(13)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide?
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide has a molecular weight of 311.01 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide is sourced from PubChem (CID 81263840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).