5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide

C15H13BrFNO — CID 65307346

IUPAC5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H13BrFNO/c1-9-3-5-11(16)7-13(9)15(19)18-14-8-12(17)6-4-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyFUVYASBKLSYZHL-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide

5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide (PubChem CID 65307346) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
PubChem CID65307346
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H13BrFNO/c1-9-3-5-11(16)7-13(9)15(19)18-14-8-12(17)6-4-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyFUVYASBKLSYZHL-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

N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide (CID 65307346) is 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide is Cc1ccc(F)cc1NC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
The InChIKey is FUVYASBKLSYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-3-5-11(16)7-13(9)15(19)18-14-8-12(17)6-4-10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
5-bromo-N-(5-fluoro-2-methylphenyl)-2-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 5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 65307346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).