1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H17FN2O2 — CID 580214

IUPAC1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C18H17FN2O2/c1-12-6-2-4-8-15(12)20-18(23)13-10-17(22)21(11-13)16-9-5-3-7-14(16)19/h2-9,13H,10-11H2,1H3,(H,20,23)
InChIKeyOFAKDFVYFBIYCH-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.13
Rot. Bonds3

About 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 580214) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID580214
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C18H17FN2O2/c1-12-6-2-4-8-15(12)20-18(23)13-10-17(22)21(11-13)16-9-5-3-7-14(16)19/h2-9,13H,10-11H2,1H3,(H,20,23)
InChIKeyOFAKDFVYFBIYCH-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 580214) is 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OFAKDFVYFBIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-6-2-4-8-15(12)20-18(23)13-10-17(22)21(11-13)16-9-5-3-7-14(16)19/h2-9,13H,10-11H2,1H3,(H,20,23).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 580214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).