N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C21H20F3N3O4 — CID 56765519

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H20F3N3O4/c22-21(23,24)14-8-6-13(7-9-14)17(28)12-25-19(30)20(31)26-15-3-1-4-16(11-15)27-10-2-5-18(27)29/h1,3-4,6-9,11,17,28H,2,5,10,12H2,(H,25,30)(H,26,31)
InChIKeyQGDMSIPIMSSXPI-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.62
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 56765519) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID56765519
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H20F3N3O4/c22-21(23,24)14-8-6-13(7-9-14)17(28)12-25-19(30)20(31)26-15-3-1-4-16(11-15)27-10-2-5-18(27)29/h1,3-4,6-9,11,17,28H,2,5,10,12H2,(H,25,30)(H,26,31)
InChIKeyQGDMSIPIMSSXPI-UHFFFAOYSA-N
XLogP2.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
N-[3-(2-Fluoro-4'-hydroxymethyl-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 21907449
N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)ethanediamide
CID 2883346
N-(2,4-difluorophenyl)-N'-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}ethanediamide
CID 56765506
N~1~-(2-hydroxy-2-phenylethyl)-N~2~-phenylethanediamide
CID 2883212
N1-(2-hydroxy-3-phenylpropyl)-N2-(3-(2-oxopyrrolidin-1-yl)phenyl)oxalamide
CID 56765313
N1-(2-hydroxy-2-phenylpropyl)-N2-(3-(2-oxopiperidin-1-yl)phenyl)oxalamide
CID 56765407
N1-phenyl-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764240
N1-(2-cyanophenyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765500
N1-(3-fluoro-4-methylphenyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765503
N1-(3-acetamidophenyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765514
N1-(3-hydroxy-3-phenylpropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide
CID 71782319

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 56765519) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is QGDMSIPIMSSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c22-21(23,24)14-8-6-13(7-9-14)17(28)12-25-19(30)20(31)26-15-3-1-4-16(11-15)27-10-2-5-18(27)29/h1,3-4,6-9,11,17,28H,2,5,10,12H2,(H,25,30)(H,26,31).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 435.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 56765519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).