1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C18H16ClFN2O2 — CID 2952196

IUPAC1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16ClFN2O2/c19-15-9-14(6-7-16(15)20)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)
InChIKeyVWHVYGBWFOVYOM-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.47
Rot. Bonds4

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

1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2952196) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2952196
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H16ClFN2O2/c19-15-9-14(6-7-16(15)20)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24)
InChIKeyVWHVYGBWFOVYOM-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
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-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2952196) is 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VWHVYGBWFOVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-15-9-14(6-7-16(15)20)21-18(24)13-8-17(23)22(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,24).
What are the key properties of 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2952196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).