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

C13H8F3NO3 — CID 103957233

IUPAC3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H8F3NO3/c14-8-4-7(5-9(15)12(8)16)17-13(20)6-1-2-10(18)11(19)3-6/h1-5,18-19H,(H,17,20)
InChIKeyUYWFNLKJCPFMEA-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.77
Rot. Bonds2

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

3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 103957233) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID103957233
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc(O)c(O)c1
InChIInChI=1S/C13H8F3NO3/c14-8-4-7(5-9(15)12(8)16)17-13(20)6-1-2-10(18)11(19)3-6/h1-5,18-19H,(H,17,20)
InChIKeyUYWFNLKJCPFMEA-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 ≤ 500283.21
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
3-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 55118892
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
3-tert-butylsulfanyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 121364031
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
3-carbamothioyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812174
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide (CID 103957233) is 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is UYWFNLKJCPFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-8-4-7(5-9(15)12(8)16)17-13(20)6-1-2-10(18)11(19)3-6/h1-5,18-19H,(H,17,20).
What are the key properties of 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide?
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 283.21 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 3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 103957233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).