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

C20H12BrClFNO2 — CID 4314630

IUPACN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C20H12BrClFNO2/c21-12-9-10-18(24-20(26)14-6-2-4-8-17(14)23)15(11-12)19(25)13-5-1-3-7-16(13)22/h1-11H,(H,24,26)
InChIKeyRUHUFAPDXTZTPE-UHFFFAOYSA-N
MW432.68 g/mol
LogP5.72
Rot. Bonds4

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

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide (PubChem CID 4314630) has the molecular formula C20H12BrClFNO2 and a molecular weight of 432.68 g/mol. Its IUPAC name is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide
PubChem CID4314630
Molecular FormulaC20H12BrClFNO2
Molecular Weight432.68 g/mol
Exact Mass430.97
IUPAC NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C20H12BrClFNO2/c21-12-9-10-18(24-20(26)14-6-2-4-8-17(14)23)15(11-12)19(25)13-5-1-3-7-16(13)22/h1-11H,(H,24,26)
InChIKeyRUHUFAPDXTZTPE-UHFFFAOYSA-N
XLogP5.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide 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-fluorobenzamide?
The IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide (CID 4314630) is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide?
The InChIKey is RUHUFAPDXTZTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClFNO2/c21-12-9-10-18(24-20(26)14-6-2-4-8-17(14)23)15(11-12)19(25)13-5-1-3-7-16(13)22/h1-11H,(H,24,26).
What are the key properties of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide?
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide has a molecular weight of 432.68 g/mol, XLogP of 5.72, 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-fluorobenzamide is sourced from PubChem (CID 4314630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).