N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C18H17F3N2O3 — CID 121112072

IUPACN-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c1-17(26,12-6-3-2-4-7-12)11-22-15(24)16(25)23-14-9-5-8-13(10-14)18(19,20)21/h2-10,26H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGLIGOFVCKSVSKS-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.67
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 121112072) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID121112072
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c1-17(26,12-6-3-2-4-7-12)11-22-15(24)16(25)23-14-9-5-8-13(10-14)18(19,20)21/h2-10,26H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGLIGOFVCKSVSKS-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.67
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-methylphenyl)oxamide
CID 121112034
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 121112072) is N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is CC(O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is GLIGOFVCKSVSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-17(26,12-6-3-2-4-7-12)11-22-15(24)16(25)23-14-9-5-8-13(10-14)18(19,20)21/h2-10,26H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 366.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 121112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).