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

C14H11BrFNO2 — CID 107671523

IUPACN-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H11BrFNO2/c1-8-6-10(18)3-4-11(8)14(19)17-13-5-2-9(16)7-12(13)15/h2-7,18H,1H3,(H,17,19)
InChIKeyDIIVCJJLXMULKI-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.85
Rot. Bonds2

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

N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107671523) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
PubChem CID107671523
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H11BrFNO2/c1-8-6-10(18)3-4-11(8)14(19)17-13-5-2-9(16)7-12(13)15/h2-7,18H,1H3,(H,17,19)
InChIKeyDIIVCJJLXMULKI-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 103863779
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide (CID 107671523) is N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is DIIVCJJLXMULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-8-6-10(18)3-4-11(8)14(19)17-13-5-2-9(16)7-12(13)15/h2-7,18H,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide?
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107671523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).