2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide

C15H13BrFNO — CID 113250689

IUPAC2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C15H13BrFNO/c1-9-6-7-13(10(2)8-9)18-15(19)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3,(H,18,19)
InChIKeyINUAODFUSPJEJS-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide

2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide (PubChem CID 113250689) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
PubChem CID113250689
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C15H13BrFNO/c1-9-6-7-13(10(2)8-9)18-15(19)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3,(H,18,19)
InChIKeyINUAODFUSPJEJS-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
CID 115678377
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide (CID 113250689) is 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide is Cc1ccc(NC(=O)c2c(F)cccc2Br)c(C)c1.
What is the InChIKey of 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide?
The InChIKey is INUAODFUSPJEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-6-7-13(10(2)8-9)18-15(19)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide?
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide is sourced from PubChem (CID 113250689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).