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

C13H6ClF4NO2 — CID 169122460

IUPAC5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C13H6ClF4NO2/c14-7-3-6(11(20)4-8(7)15)13(21)19-5-1-9(16)12(18)10(17)2-5/h1-4,20H,(H,19,21)
InChIKeyPMQWBTIKHMFUQN-UHFFFAOYSA-N
MW319.64 g/mol
LogP3.85
Rot. Bonds2

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

5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 169122460) has the molecular formula C13H6ClF4NO2 and a molecular weight of 319.64 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID169122460
Molecular FormulaC13H6ClF4NO2
Molecular Weight319.64 g/mol
Exact Mass319.00
IUPAC Name5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C13H6ClF4NO2/c14-7-3-6(11(20)4-8(7)15)13(21)19-5-1-9(16)12(18)10(17)2-5/h1-4,20H,(H,19,21)
InChIKeyPMQWBTIKHMFUQN-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
CID 166523086
4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
CID 82772330
5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812110
2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 62810133
5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107729876

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide (CID 169122460) is 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is PMQWBTIKHMFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO2/c14-7-3-6(11(20)4-8(7)15)13(21)19-5-1-9(16)12(18)10(17)2-5/h1-4,20H,(H,19,21).
What are the key properties of 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide?
5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 319.64 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 169122460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).