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

C19H16F3N3O3 — CID 121054613

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)12-4-1-5-13(10-12)23-17(27)18(28)24-14-6-2-7-15(11-14)25-9-3-8-16(25)26/h1-2,4-7,10-11H,3,8-9H2,(H,23,27)(H,24,28)
InChIKeyJCVCAGRZCJZHRP-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.41
Rot. Bonds3

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

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 121054613) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID121054613
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)12-4-1-5-13(10-12)23-17(27)18(28)24-14-6-2-7-15(11-14)25-9-3-8-16(25)26/h1-2,4-7,10-11H,3,8-9H2,(H,23,27)(H,24,28)
InChIKeyJCVCAGRZCJZHRP-UHFFFAOYSA-N
XLogP3.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679468
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
N-[3-(2-oxopiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806485
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679220
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46491839
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 121054613) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is JCVCAGRZCJZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)12-4-1-5-13(10-12)23-17(27)18(28)24-14-6-2-7-15(11-14)25-9-3-8-16(25)26/h1-2,4-7,10-11H,3,8-9H2,(H,23,27)(H,24,28).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 391.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 121054613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).