3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide

C13H8F3NO2 — CID 55118892

IUPAC3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cccc(O)c1
InChIInChI=1S/C13H8F3NO2/c14-10-5-8(6-11(15)12(10)16)17-13(19)7-2-1-3-9(18)4-7/h1-6,18H,(H,17,19)
InChIKeyDRQOPUJWEGPCLJ-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.06
Rot. Bonds2

About 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide

3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 55118892) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID55118892
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cccc(O)c1
InChIInChI=1S/C13H8F3NO2/c14-10-5-8(6-11(15)12(10)16)17-13(19)7-2-1-3-9(18)4-7/h1-6,18H,(H,17,19)
InChIKeyDRQOPUJWEGPCLJ-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-fluorophenyl)-3-hydroxybenzamide
CID 54955192
3-[(3,4,5-trifluorophenyl)carbamoyl]benzenesulfinate
CID 123569358
3-carbamothioyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812174
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
3-hydroxy-N-thiophen-3-ylbenzamide
CID 66353330
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
N-(2-fluoro-3-methylphenyl)-3-hydroxybenzamide
CID 113368406
3-hydroxy-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933166
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide (CID 55118892) is 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is DRQOPUJWEGPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-10-5-8(6-11(15)12(10)16)17-13(19)7-2-1-3-9(18)4-7/h1-6,18H,(H,17,19).
What are the key properties of 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 267.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 55118892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).