2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide

C15H12F3NO4 — CID 59014806

IUPAC2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(O)c(O)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO4/c1-8-5-11(13(21)12(20)6-8)14(22)19-9-3-2-4-10(7-9)23-15(16,17)18/h2-7,20-21H,1H3,(H,19,22)
InChIKeyIESMEBCJNNPULW-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.56
Rot. Bonds3

About 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide

2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 59014806) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID59014806
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(O)c(O)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO4/c1-8-5-11(13(21)12(20)6-8)14(22)19-9-3-2-4-10(7-9)23-15(16,17)18/h2-7,20-21H,1H3,(H,19,22)
InChIKeyIESMEBCJNNPULW-UHFFFAOYSA-N
XLogP3.56
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 59014806) is 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide is Cc1cc(O)c(O)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is IESMEBCJNNPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-8-5-11(13(21)12(20)6-8)14(22)19-9-3-2-4-10(7-9)23-15(16,17)18/h2-7,20-21H,1H3,(H,19,22).
What are the key properties of 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 327.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 59014806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).