4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide

C14H10F3NO2 — CID 103863779

IUPAC4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
SMILESCc1cc(O)ccc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F3NO2/c1-7-4-8(19)2-3-9(7)14(20)18-13-6-11(16)10(15)5-12(13)17/h2-6,19H,1H3,(H,18,20)
InChIKeyYSEZYNHEQKEYKN-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.37
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide

4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 103863779) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID103863779
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
SMILESCc1cc(O)ccc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F3NO2/c1-7-4-8(19)2-3-9(7)14(20)18-13-6-11(16)10(15)5-12(13)17/h2-6,19H,1H3,(H,18,20)
InChIKeyYSEZYNHEQKEYKN-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.37
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-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671523
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
N-(2-fluoro-4-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 79808290
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide (CID 103863779) is 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide is Cc1cc(O)ccc1C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is YSEZYNHEQKEYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-7-4-8(19)2-3-9(7)14(20)18-13-6-11(16)10(15)5-12(13)17/h2-6,19H,1H3,(H,18,20).
What are the key properties of 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide?
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 281.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 103863779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).