N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide

C19H19F3N2O3 — CID 90498103

IUPACN-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)18(27,15-9-5-2-6-10-15)13-24-17(26)16(25)23-12-11-14-7-3-1-4-8-14/h1-10,27H,11-13H2,(H,23,25)(H,24,26)
InChIKeyCZKGDUVVDMFQBB-UHFFFAOYSA-N
MW380.37 g/mol
LogP1.91
Rot. Bonds6

About N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide

N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 90498103) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
PubChem CID90498103
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)18(27,15-9-5-2-6-10-15)13-24-17(26)16(25)23-12-11-14-7-3-1-4-8-14/h1-10,27H,11-13H2,(H,23,25)(H,24,26)
InChIKeyCZKGDUVVDMFQBB-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 51.91
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-chlorophenyl)methyl]-N'-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367454
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367441
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154260012
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide (CID 90498103) is N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is CZKGDUVVDMFQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)18(27,15-9-5-2-6-10-15)13-24-17(26)16(25)23-12-11-14-7-3-1-4-8-14/h1-10,27H,11-13H2,(H,23,25)(H,24,26).
What are the key properties of N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide?
N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 380.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 90498103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).