N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide

C15H10BrCl2NO2 — CID 587201

IUPACN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H10BrCl2NO2/c16-9-5-6-13(19-14(20)8-17)11(7-9)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)
InChIKeyBXAWZJZMYSSHAK-UHFFFAOYSA-N
MW387.06 g/mol
LogP4.51
Rot. Bonds4

About N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide (PubChem CID 587201) has the molecular formula C15H10BrCl2NO2 and a molecular weight of 387.06 g/mol. Its IUPAC name is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide
PubChem CID587201
Molecular FormulaC15H10BrCl2NO2
Molecular Weight387.06 g/mol
Exact Mass384.93
IUPAC NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H10BrCl2NO2/c16-9-5-6-13(19-14(20)8-17)11(7-9)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)
InChIKeyBXAWZJZMYSSHAK-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide (CID 587201) is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide is O=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide?
The InChIKey is BXAWZJZMYSSHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO2/c16-9-5-6-13(19-14(20)8-17)11(7-9)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20).
What are the key properties of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide?
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide has a molecular weight of 387.06 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 587201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).