1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14ClFN2O2 — CID 2900783

IUPAC1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14ClFN2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23)
InChIKeyRMESBCSZBRYILV-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2900783) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2900783
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14ClFN2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23)
InChIKeyRMESBCSZBRYILV-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2900783) is 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RMESBCSZBRYILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2900783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).