N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C20H19F3N2O3 — CID 95379595

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)15-8-4-5-9-16(15)25-18(27)17(26)24-12-19(28,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,28H,10-12H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyCLIQZPXVCNLFBO-LJQANCHMSA-N
MW392.38 g/mol
LogP3.06
Rot. Bonds5

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 95379595) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID95379595
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)15-8-4-5-9-16(15)25-18(27)17(26)24-12-19(28,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,28H,10-12H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyCLIQZPXVCNLFBO-LJQANCHMSA-N
XLogP3.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide 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'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-propyloxamide
CID 90535556
1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
CID 95379625
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
CID 95379554
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000430
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 95379595) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is CLIQZPXVCNLFBO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)15-8-4-5-9-16(15)25-18(27)17(26)24-12-19(28,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,28H,10-12H2,(H,24,26)(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 392.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 95379595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).