2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide

C14H8F3NO3 — CID 106912207

IUPAC2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide
SMILESO=Cc1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1
InChIInChI=1S/C14H8F3NO3/c15-10-5-9(11(16)13(20)12(10)17)14(21)18-8-3-1-7(6-19)2-4-8/h1-6,20H,(H,18,21)
InChIKeyIEOMLEQBWKTTHM-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.87
Rot. Bonds3

About 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide

2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide (PubChem CID 106912207) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide
PubChem CID106912207
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide
SMILESO=Cc1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1
InChIInChI=1S/C14H8F3NO3/c15-10-5-9(11(16)13(20)12(10)17)14(21)18-8-3-1-7(6-19)2-4-8/h1-6,20H,(H,18,21)
InChIKeyIEOMLEQBWKTTHM-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
3-bromo-2-fluoro-N-(4-formylphenyl)benzamide
CID 114019860
2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 86789899
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107697532
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
CID 106912364
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115912202

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide?
The IUPAC name of 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide (CID 106912207) is 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide.
What is the SMILES notation for 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide?
The canonical SMILES for 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide is O=Cc1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1.
What is the InChIKey of 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide?
The InChIKey is IEOMLEQBWKTTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-10-5-9(11(16)13(20)12(10)17)14(21)18-8-3-1-7(6-19)2-4-8/h1-6,20H,(H,18,21).
What are the key properties of 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide?
2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide has a molecular weight of 295.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide is sourced from PubChem (CID 106912207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).