N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide

C13H15F3N2O3 — CID 95368102

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESC[C@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15F3N2O3/c1-12(21,9-5-3-2-4-6-9)7-17-10(19)11(20)18-8-13(14,15)16/h2-6,21H,7-8H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyJVQWBOOUTJRFBI-LBPRGKRZSA-N
MW304.27 g/mol
LogP0.69
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 95368102) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID95368102
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESC[C@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15F3N2O3/c1-12(21,9-5-3-2-4-6-9)7-17-10(19)11(20)18-8-13(14,15)16/h2-6,21H,7-8H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyJVQWBOOUTJRFBI-LBPRGKRZSA-N
XLogP0.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 95368102) is N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide is C[C@](O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is JVQWBOOUTJRFBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(21,9-5-3-2-4-6-9)7-17-10(19)11(20)18-8-13(14,15)16/h2-6,21H,7-8H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 304.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 95368102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).