N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide

C19H19F3N2O3 — CID 56765501

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F3N2O3/c1-12(13-5-3-2-4-6-13)24-18(27)17(26)23-11-16(25)14-7-9-15(10-8-14)19(20,21)22/h2-10,12,16,25H,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyBPPJVJBGQLPZLI-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.73
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide (PubChem CID 56765501) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide
PubChem CID56765501
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F3N2O3/c1-12(13-5-3-2-4-6-13)24-18(27)17(26)23-11-16(25)14-7-9-15(10-8-14)19(20,21)22/h2-10,12,16,25H,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyBPPJVJBGQLPZLI-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide (CID 56765501) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is BPPJVJBGQLPZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12(13-5-3-2-4-6-13)24-18(27)17(26)23-11-16(25)14-7-9-15(10-8-14)19(20,21)22/h2-10,12,16,25H,11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 380.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 56765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).