N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C18H16FN3O3 — CID 30679220

IUPACN'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H16FN3O3/c19-12-3-1-4-14(11-12)21-18(25)17(24)20-13-6-8-15(9-7-13)22-10-2-5-16(22)23/h1,3-4,6-9,11H,2,5,10H2,(H,20,24)(H,21,25)
InChIKeyWGSZOXQTDXZVQV-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.53
Rot. Bonds3

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

N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 30679220) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID30679220
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H16FN3O3/c19-12-3-1-4-14(11-12)21-18(25)17(24)20-13-6-8-15(9-7-13)22-10-2-5-16(22)23/h1,3-4,6-9,11H,2,5,10H2,(H,20,24)(H,21,25)
InChIKeyWGSZOXQTDXZVQV-UHFFFAOYSA-N
XLogP2.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.53
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

N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679468
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
N-(3-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111413785
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 30679220) is N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is WGSZOXQTDXZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-12-3-1-4-14(11-12)21-18(25)17(24)20-13-6-8-15(9-7-13)22-10-2-5-16(22)23/h1,3-4,6-9,11H,2,5,10H2,(H,20,24)(H,21,25).
What are the key properties of N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 341.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30679220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).