N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C21H29FN2O3 — CID 112817524

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)CC1=O
InChIInChI=1S/C21H29FN2O3/c1-27-13-12-23-15-17(14-20(23)25)21(26)24(19-4-2-3-5-19)11-10-16-6-8-18(22)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3
InChIKeyIZCVJQOLSKFWOF-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.63
Rot. Bonds8

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

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 112817524) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID112817524
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)CC1=O
InChIInChI=1S/C21H29FN2O3/c1-27-13-12-23-15-17(14-20(23)25)21(26)24(19-4-2-3-5-19)11-10-16-6-8-18(22)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3
InChIKeyIZCVJQOLSKFWOF-UHFFFAOYSA-N
XLogP2.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 112817524) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)CC1=O.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IZCVJQOLSKFWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-27-13-12-23-15-17(14-20(23)25)21(26)24(19-4-2-3-5-19)11-10-16-6-8-18(22)9-7-16/h6-9,17,19H,2-5,10-15H2,1H3.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112817524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).