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

C18H27FN2O2 — CID 45169662

IUPAC5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
SMILESCC(C)OCCN1C(=O)CCC1CCNCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O2/c1-14(2)23-11-10-21-17(6-7-18(21)22)8-9-20-13-15-4-3-5-16(19)12-15/h3-5,12,14,17,20H,6-11,13H2,1-2H3
InChIKeyAABMWCJOMFHZFG-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.72
Rot. Bonds9

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

5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one (PubChem CID 45169662) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
PubChem CID45169662
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
SMILESCC(C)OCCN1C(=O)CCC1CCNCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O2/c1-14(2)23-11-10-21-17(6-7-18(21)22)8-9-20-13-15-4-3-5-16(19)12-15/h3-5,12,14,17,20H,6-11,13H2,1-2H3
InChIKeyAABMWCJOMFHZFG-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.72
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-(4-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-5-oxoprolinamide
CID 3236574
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
1-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16333760
US11179399, Example 13
CID 163200003
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005
1-[2-(4-fluorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497430
N-(4-fluorobenzyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3240092
1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 5197630
N-(2-(4-fluorophenyl)-2-morpholinoethyl)cyclohexanecarboxamide
CID 16811477
N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide
CID 10683176

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one (CID 45169662) is 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one is CC(C)OCCN1C(=O)CCC1CCNCc1cccc(F)c1.
What is the InChIKey of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The InChIKey is AABMWCJOMFHZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-14(2)23-11-10-21-17(6-7-18(21)22)8-9-20-13-15-4-3-5-16(19)12-15/h3-5,12,14,17,20H,6-11,13H2,1-2H3.
What are the key properties of 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one has a molecular weight of 322.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-fluorophenyl)methylamino]ethyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 45169662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).