3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide

C15H13BrFNO — CID 113460801

IUPAC3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
SMILESCc1cc(F)cc(NC(=O)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-9-3-11(7-12(16)4-9)15(19)18-14-6-10(2)5-13(17)8-14/h3-8H,1-2H3,(H,18,19)
InChIKeyHLJJRUQTIKWJQW-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide

3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide (PubChem CID 113460801) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
PubChem CID113460801
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
SMILESCc1cc(F)cc(NC(=O)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C15H13BrFNO/c1-9-3-11(7-12(16)4-9)15(19)18-14-6-10(2)5-13(17)8-14/h3-8H,1-2H3,(H,18,19)
InChIKeyHLJJRUQTIKWJQW-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

3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide (CID 113460801) is 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide is Cc1cc(F)cc(NC(=O)c2cc(C)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide?
The InChIKey is HLJJRUQTIKWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-3-11(7-12(16)4-9)15(19)18-14-6-10(2)5-13(17)8-14/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide?
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide 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-(3-fluoro-5-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 113460801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).