N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide

C17H15F4NO2 — CID 143156002

IUPACN-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(C(F)(F)F)cc(CNC(=O)C(O)c2ccccc2)c1F
InChIInChI=1S/C17H15F4NO2/c1-10-7-13(17(19,20)21)8-12(14(10)18)9-22-16(24)15(23)11-5-3-2-4-6-11/h2-8,15,23H,9H2,1H3,(H,22,24)
InChIKeyKETGYLMPCNNMPG-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.50
Rot. Bonds4

About N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide

N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 143156002) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
PubChem CID143156002
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC NameN-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(C(F)(F)F)cc(CNC(=O)C(O)c2ccccc2)c1F
InChIInChI=1S/C17H15F4NO2/c1-10-7-13(17(19,20)21)8-12(14(10)18)9-22-16(24)15(23)11-5-3-2-4-6-11/h2-8,15,23H,9H2,1H3,(H,22,24)
InChIKeyKETGYLMPCNNMPG-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide 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

2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10503358
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-5-phenylpentan-2-yl]propanamide
CID 9910028
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hydroxymethyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10647553
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-4-phenylbutan-2-yl]propanamide
CID 44334174
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]methyl]phenyl]benzoate
CID 44455147
methyl 2-fluoro-6-[3-fluoro-4-[[[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]methyl]phenyl]benzoate
CID 44455150
N-Benzyl-2-hydroxy-2-phenylacetamide
CID 222718
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide (CID 143156002) is N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide is Cc1cc(C(F)(F)F)cc(CNC(=O)C(O)c2ccccc2)c1F.
What is the InChIKey of N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is KETGYLMPCNNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-10-7-13(17(19,20)21)8-12(14(10)18)9-22-16(24)15(23)11-5-3-2-4-6-11/h2-8,15,23H,9H2,1H3,(H,22,24).
What are the key properties of N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide?
N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 341.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 143156002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).