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

C17H23FN2O2 — CID 6497425

IUPACN-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-3-12(2)19-17(22)14-10-16(21)20(11-14)9-8-13-4-6-15(18)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyIRUDLSXNIASDSR-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.13
Rot. Bonds6

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

N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497425) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6497425
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-3-12(2)19-17(22)14-10-16(21)20(11-14)9-8-13-4-6-15(18)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyIRUDLSXNIASDSR-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.13
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-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 6497425) is N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IRUDLSXNIASDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-12(2)19-17(22)14-10-16(21)20(11-14)9-8-13-4-6-15(18)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.13, 6 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-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).