1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C17H21FN2O2 — CID 6497413

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2)CN1CCc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O2/c18-15-5-3-13(4-6-15)7-10-20-12-14(11-16(20)21)17(22)19-8-1-2-9-19/h3-6,14H,1-2,7-12H2
InChIKeyCBZQYKHHRUKEOP-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.84
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6497413) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID6497413
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2)CN1CCc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O2/c18-15-5-3-13(4-6-15)7-10-20-12-14(11-16(20)21)17(22)19-8-1-2-9-19/h3-6,14H,1-2,7-12H2
InChIKeyCBZQYKHHRUKEOP-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 6461917
(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 29056896
ethyl (3R)-1-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9374364
4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 113184960
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9374038
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 17081613
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
(3S)-N,N-bis(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373848
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 17081606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 6497413) is 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2)CN1CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CBZQYKHHRUKEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-5-3-13(4-6-15)7-10-20-12-14(11-16(20)21)17(22)19-8-1-2-9-19/h3-6,14H,1-2,7-12H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 304.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6497413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).