2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide

C13H8F3NO3 — CID 107722274

IUPAC2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(O)ccc1O
InChIInChI=1S/C13H8F3NO3/c14-8-2-3-9(12(16)11(8)15)17-13(20)7-5-6(18)1-4-10(7)19/h1-5,18-19H,(H,17,20)
InChIKeyMGOJDZZEHIVFAA-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.77
Rot. Bonds2

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

2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 107722274) has the molecular formula C13H8F3NO3 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID107722274
Molecular FormulaC13H8F3NO3
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC Name2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(O)ccc1O
InChIInChI=1S/C13H8F3NO3/c14-8-2-3-9(12(16)11(8)15)17-13(20)7-5-6(18)1-4-10(7)19/h1-5,18-19H,(H,17,20)
InChIKeyMGOJDZZEHIVFAA-UHFFFAOYSA-N
XLogP2.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722046
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724034
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide (CID 107722274) is 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is MGOJDZZEHIVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-8-2-3-9(12(16)11(8)15)17-13(20)7-5-6(18)1-4-10(7)19/h1-5,18-19H,(H,17,20).
What are the key properties of 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide?
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 283.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 107722274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).