1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 46159423

IUPAC1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c20-16-12-14(6-7-17(16)21)23-11-9-15(19(23)25)18(24)22-10-8-13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H,22,24)
InChIKeyQGYLZIMNHXELED-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.19
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 46159423) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID46159423
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c20-16-12-14(6-7-17(16)21)23-11-9-15(19(23)25)18(24)22-10-8-13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H,22,24)
InChIKeyQGYLZIMNHXELED-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.19
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-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 46159423) is 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCN(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is QGYLZIMNHXELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c20-16-12-14(6-7-17(16)21)23-11-9-15(19(23)25)18(24)22-10-8-13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H,22,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46159423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).