N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide

C14H10BrF2NO — CID 112702520

IUPACN-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H10BrF2NO/c1-8-6-9(16)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)15/h2-7H,1H3,(H,18,19)
InChIKeyWPHWAWPHCHLBGR-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide

N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide (PubChem CID 112702520) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
PubChem CID112702520
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H10BrF2NO/c1-8-6-9(16)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)15/h2-7H,1H3,(H,18,19)
InChIKeyWPHWAWPHCHLBGR-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 107671523
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4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
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N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
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CID 63210074
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
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2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide (CID 112702520) is N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide?
The InChIKey is WPHWAWPHCHLBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-6-9(16)2-4-11(8)14(19)18-13-5-3-10(17)7-12(13)15/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide?
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 112702520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).