N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide

C14H10BrF2NO2 — CID 107676398

IUPACN-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)c(Br)cc2F)ccc1O
InChIInChI=1S/C14H10BrF2NO2/c1-7-4-8(2-3-13(7)19)14(20)18-12-6-10(16)9(15)5-11(12)17/h2-6,19H,1H3,(H,18,20)
InChIKeyYASOBRZKKABHJV-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.99
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide

N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107676398) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
PubChem CID107676398
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)c(Br)cc2F)ccc1O
InChIInChI=1S/C14H10BrF2NO2/c1-7-4-8(2-3-13(7)19)14(20)18-12-6-10(16)9(15)5-11(12)17/h2-6,19H,1H3,(H,18,20)
InChIKeyYASOBRZKKABHJV-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103956833
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
N-(2,6-dibromophenyl)-4-hydroxy-3-methylbenzamide
CID 107676885
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide (CID 107676398) is N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(F)c(Br)cc2F)ccc1O.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is YASOBRZKKABHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-7-4-8(2-3-13(7)19)14(20)18-12-6-10(16)9(15)5-11(12)17/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide?
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 342.14 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107676398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).