N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H19FN2O2 — CID 2927243

IUPACN-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)17-15(20)11-8-14(19)18(9-11)13-6-4-12(16)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyILTJLCWAUYIIPT-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.09
Rot. Bonds4

About N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2927243) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2927243
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)17-15(20)11-8-14(19)18(9-11)13-6-4-12(16)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyILTJLCWAUYIIPT-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2927243) is N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ILTJLCWAUYIIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-10(2)17-15(20)11-8-14(19)18(9-11)13-6-4-12(16)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2927243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).