2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide

C14H10BrClFNO — CID 115678082

IUPAC2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-5-6-12(10(16)7-8)18-14(19)13-9(15)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyGQNKKKNKOVTIQJ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide

2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide (PubChem CID 115678082) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
PubChem CID115678082
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-5-6-12(10(16)7-8)18-14(19)13-9(15)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyGQNKKKNKOVTIQJ-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
CID 115678377
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide (CID 115678082) is 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide is Cc1ccc(NC(=O)c2c(F)cccc2Br)c(Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide?
The InChIKey is GQNKKKNKOVTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-5-6-12(10(16)7-8)18-14(19)13-9(15)3-2-4-11(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide?
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide is sourced from PubChem (CID 115678082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).