1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C14H16ClFN2O2 — CID 3240236

IUPAC1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H16ClFN2O2/c1-8(2)17-14(20)9-5-13(19)18(7-9)10-3-4-12(16)11(15)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)
InChIKeyUKYBUVHPGFARTM-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.36
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 3240236) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID3240236
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H16ClFN2O2/c1-8(2)17-14(20)9-5-13(19)18(7-9)10-3-4-12(16)11(15)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)
InChIKeyUKYBUVHPGFARTM-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 3240236) is 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is UKYBUVHPGFARTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-8(2)17-14(20)9-5-13(19)18(7-9)10-3-4-12(16)11(15)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 298.75 g/mol, XLogP of 2.36, 3 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)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3240236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).