3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide

C14H9Br2F2NO — CID 81471642

IUPAC3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)cc1Br
InChIInChI=1S/C14H9Br2F2NO/c1-7-2-3-8(4-10(7)15)14(20)19-13-11(16)5-9(17)6-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyIOXBMBMCQWCCPY-UHFFFAOYSA-N
MW405.04 g/mol
LogP5.05
Rot. Bonds2

About 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide

3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide (PubChem CID 81471642) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
PubChem CID81471642
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC Name3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)cc1Br
InChIInChI=1S/C14H9Br2F2NO/c1-7-2-3-8(4-10(7)15)14(20)19-13-11(16)5-9(17)6-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyIOXBMBMCQWCCPY-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.04
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide 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-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(2-bromo-4,6-difluorophenyl)-2-hydroxy-3-methylbenzamide
CID 43244596
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 43237002
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
CID 43090996
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide (CID 81471642) is 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)cc1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide?
The InChIKey is IOXBMBMCQWCCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c1-7-2-3-8(4-10(7)15)14(20)19-13-11(16)5-9(17)6-12(13)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide?
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide has a molecular weight of 405.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 81471642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).