1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide

C18H24FN3O3 — CID 4069380

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)13-22-16(5-6-17(22)23)18(24)20-7-8-21-9-11-25-12-10-21/h1-4,16H,5-13H2,(H,20,24)
InChIKeyOSDFQQCGJCAZRK-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.77
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 4069380) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID4069380
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)13-22-16(5-6-17(22)23)18(24)20-7-8-21-9-11-25-12-10-21/h1-4,16H,5-13H2,(H,20,24)
InChIKeyOSDFQQCGJCAZRK-UHFFFAOYSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
L-valyl-L-proline benzylamide
CID 11645153
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
(S)-tert-butyl 2-(4-(((R)-1-((4-fluorobenzyl)amino)-3-methyl-1-oxobutan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 16402456
(2S)-1-ethyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864951
D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
CID 25011733
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-(2-fluoro-benzylamide)
CID 644996
N'-Cyclohexyl-N-cyclopentyl-N'-[(2-fluorophenyl)[(2-methoxyethyl)carbamoyl]methyl]ethanediamide
CID 3219971

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (CID 4069380) is 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OSDFQQCGJCAZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)13-22-16(5-6-17(22)23)18(24)20-7-8-21-9-11-25-12-10-21/h1-4,16H,5-13H2,(H,20,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4069380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).