2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

C16H13F4NO2 — CID 90497940

IUPAC2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C16H13F4NO2/c17-13-9-5-4-8-12(13)14(22)21-10-15(23,16(18,19)20)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,21,22)
InChIKeyKCSGPQUKBPIFAF-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.01
Rot. Bonds4

About 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 90497940) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
PubChem CID90497940
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Name2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C16H13F4NO2/c17-13-9-5-4-8-12(13)14(22)21-10-15(23,16(18,19)20)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,21,22)
InChIKeyKCSGPQUKBPIFAF-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)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

N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497973
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873773
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873774
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2-chloro-4-nitro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498003
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (CID 90497940) is 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is KCSGPQUKBPIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c17-13-9-5-4-8-12(13)14(22)21-10-15(23,16(18,19)20)11-6-2-1-3-7-11/h1-9,23H,10H2,(H,21,22).
What are the key properties of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 327.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 90497940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).