2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide

C17H12F7NO3 — CID 2294766

IUPAC2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C17H12F7NO3/c18-15(19)16(20,21)8-28-13-6-5-9(7-11(13)17(22,23)24)25-14(27)10-3-1-2-4-12(10)26/h1-7,15,26H,8H2,(H,25,27)
InChIKeyKRZGAZYYIQGGBD-UHFFFAOYSA-N
MW411.27 g/mol
LogP4.94
Rot. Bonds6

About 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide

2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2294766) has the molecular formula C17H12F7NO3 and a molecular weight of 411.27 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
PubChem CID2294766
Molecular FormulaC17H12F7NO3
Molecular Weight411.27 g/mol
Exact Mass411.07
IUPAC Name2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C17H12F7NO3/c18-15(19)16(20,21)8-28-13-6-5-9(7-11(13)17(22,23)24)25-14(27)10-3-1-2-4-12(10)26/h1-7,15,26H,8H2,(H,25,27)
InChIKeyKRZGAZYYIQGGBD-UHFFFAOYSA-N
XLogP4.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]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

Benorylate
CID 21102
Acetaminosalol
CID 1984
Osalmid
CID 4602
2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
Eterilate
CID 44258
Salverine
CID 65585
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806
N-(4-Ethoxyphenyl)-2-hydroxybenzamide
CID 94777
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-hydroxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 487737

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide (CID 2294766) is 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KRZGAZYYIQGGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F7NO3/c18-15(19)16(20,21)8-28-13-6-5-9(7-11(13)17(22,23)24)25-14(27)10-3-1-2-4-12(10)26/h1-7,15,26H,8H2,(H,25,27).
What are the key properties of 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 411.27 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2294766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).