3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide

C15H12BrF2NO2 — CID 142035556

IUPAC3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(O)c(Cc2ccc(Br)cc2F)c1F
InChIInChI=1S/C15H12BrF2NO2/c1-7-4-11(15(19)21)14(20)10(13(7)18)5-8-2-3-9(16)6-12(8)17/h2-4,6,20H,5H2,1H3,(H2,19,21)
InChIKeyCSNCWCRQPUGWCG-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.43
Rot. Bonds3

About 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide

3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide (PubChem CID 142035556) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide
PubChem CID142035556
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(O)c(Cc2ccc(Br)cc2F)c1F
InChIInChI=1S/C15H12BrF2NO2/c1-7-4-11(15(19)21)14(20)10(13(7)18)5-8-2-3-9(16)6-12(8)17/h2-4,6,20H,5H2,1H3,(H2,19,21)
InChIKeyCSNCWCRQPUGWCG-UHFFFAOYSA-N
XLogP3.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
4-[(4-bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
CID 58360840
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
4-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 58259958
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 2990334
3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 175816336
2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
CID 61219784
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide (CID 142035556) is 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide is Cc1cc(C(N)=O)c(O)c(Cc2ccc(Br)cc2F)c1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide?
The InChIKey is CSNCWCRQPUGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-7-4-11(15(19)21)14(20)10(13(7)18)5-8-2-3-9(16)6-12(8)17/h2-4,6,20H,5H2,1H3,(H2,19,21).
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide?
3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide has a molecular weight of 356.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 142035556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).