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

C18H17F3N2O3 — CID 90534599

IUPACN-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-7-4-8-14(10-13)23-17(26)16(25)22-11-15(24)9-12-5-2-1-3-6-12/h1-8,10,15,24H,9,11H2,(H,22,25)(H,23,26)
InChIKeyXPUPYFCOWIETKF-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.36
Rot. Bonds5

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

N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 90534599) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID90534599
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-7-4-8-14(10-13)23-17(26)16(25)22-11-15(24)9-12-5-2-1-3-6-12/h1-8,10,15,24H,9,11H2,(H,22,25)(H,23,26)
InChIKeyXPUPYFCOWIETKF-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.36
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-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90623997
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 57294519
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
1-(2-hydroxy-3-phenylpropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765329
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 90534599) is N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCC(O)Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is XPUPYFCOWIETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-7-4-8-14(10-13)23-17(26)16(25)22-11-15(24)9-12-5-2-1-3-6-12/h1-8,10,15,24H,9,11H2,(H,22,25)(H,23,26).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 366.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 90534599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).