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

C15H13BrFNO — CID 103714167

IUPAC3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrFNO/c1-9-4-3-5-10(2)14(9)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyBYDZJSPGVGCTPI-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide

3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide (PubChem CID 103714167) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
PubChem CID103714167
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrFNO/c1-9-4-3-5-10(2)14(9)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyBYDZJSPGVGCTPI-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

4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(2-bromo-6-methylphenyl)-4-chlorobenzamide
CID 4100281
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide (CID 103714167) is 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide is Cc1cccc(C)c1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide?
The InChIKey is BYDZJSPGVGCTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-4-3-5-10(2)14(9)18-15(19)11-6-7-13(17)12(16)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide?
3-bromo-N-(2,6-dimethylphenyl)-4-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 3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 103714167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).