1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H21FN2O3 — CID 91956097

IUPAC1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O3/c18-14-6-2-1-4-12(14)11-20-15(7-8-16(20)21)17(22)19-10-13-5-3-9-23-13/h1-2,4,6,13,15H,3,5,7-11H2,(H,19,22)
InChIKeyVLGSUKZUAMZOCG-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 91956097) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID91956097
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O3/c18-14-6-2-1-4-12(14)11-20-15(7-8-16(20)21)17(22)19-10-13-5-3-9-23-13/h1-2,4,6,13,15H,3,5,7-11H2,(H,19,22)
InChIKeyVLGSUKZUAMZOCG-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
(2S)-1-benzyl-N-[3,4-dioxo-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67095395
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003806
1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91956083
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 5312085
2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98042307
2-[6-[(2-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 53153098
2-[3-[(2-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3241894
1-(2-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 17019005
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 113150938
(2S)-1-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 7083449

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 91956097) is 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is VLGSUKZUAMZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-14-6-2-1-4-12(14)11-20-15(7-8-16(20)21)17(22)19-10-13-5-3-9-23-13/h1-2,4,6,13,15H,3,5,7-11H2,(H,19,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91956097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).