5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one

C19H29FN2O2 — CID 45185008

IUPAC5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one
SMILESCC(C)OCCCN1C(=O)CCC1CCNCc1ccc(F)cc1
InChIInChI=1S/C19H29FN2O2/c1-15(2)24-13-3-12-22-18(8-9-19(22)23)10-11-21-14-16-4-6-17(20)7-5-16/h4-7,15,18,21H,3,8-14H2,1-2H3
InChIKeyYSAYWMZVFUUYOF-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.11
Rot. Bonds10

About 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one

5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one (PubChem CID 45185008) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one
PubChem CID45185008
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one
SMILESCC(C)OCCCN1C(=O)CCC1CCNCc1ccc(F)cc1
InChIInChI=1S/C19H29FN2O2/c1-15(2)24-13-3-12-22-18(8-9-19(22)23)10-11-21-14-16-4-6-17(20)7-5-16/h4-7,15,18,21H,3,8-14H2,1-2H3
InChIKeyYSAYWMZVFUUYOF-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 6497419
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
N-(3-isopropoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129842
1-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16333760
(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67463436
5-(4-Fluorophenyl)pyrrolidin-2-one
CID 13293373
5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 5057199
1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497430
(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 75411478
N-benzyl-6-(2,5-dioxo-1-pyrrolidinyl)hexanamide
CID 2219850

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one (CID 45185008) is 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one is CC(C)OCCCN1C(=O)CCC1CCNCc1ccc(F)cc1.
What is the InChIKey of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
The InChIKey is YSAYWMZVFUUYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-15(2)24-13-3-12-22-18(8-9-19(22)23)10-11-21-14-16-4-6-17(20)7-5-16/h4-7,15,18,21H,3,8-14H2,1-2H3.
What are the key properties of 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one?
5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one has a molecular weight of 336.45 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-(3-propan-2-yloxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 45185008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).