N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide

C14H9BrCl2FNO — CID 104723145

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C14H9BrCl2FNO/c1-7-4-10(15)13(6-11(7)17)19-14(20)9-5-8(16)2-3-12(9)18/h2-6H,1H3,(H,19,20)
InChIKeyDWKAOZZEIFSBHR-UHFFFAOYSA-N
MW377.04 g/mol
LogP5.46
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide (PubChem CID 104723145) has the molecular formula C14H9BrCl2FNO and a molecular weight of 377.04 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide
PubChem CID104723145
Molecular FormulaC14H9BrCl2FNO
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C14H9BrCl2FNO/c1-7-4-10(15)13(6-11(7)17)19-14(20)9-5-8(16)2-3-12(9)18/h2-6H,1H3,(H,19,20)
InChIKeyDWKAOZZEIFSBHR-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.04
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-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-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide (CID 104723145) is N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2cc(Cl)ccc2F)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide?
The InChIKey is DWKAOZZEIFSBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO/c1-7-4-10(15)13(6-11(7)17)19-14(20)9-5-8(16)2-3-12(9)18/h2-6H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide has a molecular weight of 377.04 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 104723145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).