1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

C18H16F2N2O2 — CID 42863497

IUPAC1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)C2=O)ccc1F
InChIInChI=1S/C18H16F2N2O2/c1-11-10-14(6-7-16(11)20)22-9-8-15(18(22)24)17(23)21-13-4-2-12(19)3-5-13/h2-7,10,15H,8-9H2,1H3,(H,21,23)
InChIKeyKAPCVCUPBMUSDK-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42863497) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42863497
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)C2=O)ccc1F
InChIInChI=1S/C18H16F2N2O2/c1-11-10-14(6-7-16(11)20)22-9-8-15(18(22)24)17(23)21-13-4-2-12(19)3-5-13/h2-7,10,15H,8-9H2,1H3,(H,21,23)
InChIKeyKAPCVCUPBMUSDK-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 42863497) is 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)C2=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is KAPCVCUPBMUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-11-10-14(6-7-16(11)20)22-9-8-15(18(22)24)17(23)21-13-4-2-12(19)3-5-13/h2-7,10,15H,8-9H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42863497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).