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

C14H10BrF2NO2 — CID 102854031

IUPACN-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Br)c(F)cc2F)c(O)c1
InChIInChI=1S/C14H10BrF2NO2/c1-7-2-3-8(13(19)4-7)14(20)18-12-5-9(15)10(16)6-11(12)17/h2-6,19H,1H3,(H,18,20)
InChIKeyCQJQJDACVKRWKV-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.99
Rot. Bonds2

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

N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide (PubChem CID 102854031) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
PubChem CID102854031
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Br)c(F)cc2F)c(O)c1
InChIInChI=1S/C14H10BrF2NO2/c1-7-2-3-8(13(19)4-7)14(20)18-12-5-9(15)10(16)6-11(12)17/h2-6,19H,1H3,(H,18,20)
InChIKeyCQJQJDACVKRWKV-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'}

Analyze N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
CID 29008265
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
N-(2,5-dimethylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103887364

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide (CID 102854031) is N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Br)c(F)cc2F)c(O)c1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is CQJQJDACVKRWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-7-2-3-8(13(19)4-7)14(20)18-12-5-9(15)10(16)6-11(12)17/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide?
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-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-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 102854031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).