5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide

C13H7ClF3NO2 — CID 62812024

IUPAC5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C13H7ClF3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20)
InChIKeyLKJQSPIHFJGILX-UHFFFAOYSA-N
MW301.65 g/mol
LogP3.72
Rot. Bonds2

About 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide

5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 62812024) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID62812024
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C13H7ClF3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20)
InChIKeyLKJQSPIHFJGILX-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 53.72
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

5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812110
5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 169122460
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
5-chloro-N-(3-fluoro-4-pyridin-4-ylphenyl)-2-hydroxybenzamide
CID 59204906
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
5-chloro-N-(2-chloropyrimidin-5-yl)-2-hydroxybenzamide
CID 121352747
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide (CID 62812024) is 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is LKJQSPIHFJGILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20).
What are the key properties of 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 301.65 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62812024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).