1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

C17H21FN2O2 — CID 70724457

IUPAC1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1F)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-6-2-1-4-12(15)5-3-9-19-17(22)13-10-16(21)20(11-13)14-7-8-14/h1-2,4,6,13-14H,3,5,7-11H2,(H,19,22)
InChIKeyDPXAFMGQXIXCPL-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.89
Rot. Bonds6

About 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70724457) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70724457
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1F)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-6-2-1-4-12(15)5-3-9-19-17(22)13-10-16(21)20(11-13)14-7-8-14/h1-2,4,6,13-14H,3,5,7-11H2,(H,19,22)
InChIKeyDPXAFMGQXIXCPL-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97121539
(3S)-1-cyclopropyl-5-oxo-N-[3-(2-phenylethoxy)propyl]pyrrolidine-3-carboxamide
CID 94627844
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184749
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166541825
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 62039009
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733
1-cyclopropyl-5-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70737647
1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186219

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 70724457) is 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCCc1ccccc1F)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DPXAFMGQXIXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-6-2-1-4-12(15)5-3-9-19-17(22)13-10-16(21)20(11-13)14-7-8-14/h1-2,4,6,13-14H,3,5,7-11H2,(H,19,22).
What are the key properties of 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70724457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).