1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H21FN2O3 — CID 5197630

IUPAC1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c18-13-5-3-12(4-6-13)11-20-15(7-8-16(20)21)17(22)19-10-14-2-1-9-23-14/h3-6,14-15H,1-2,7-11H2,(H,19,22)
InChIKeyMZSXYHVLCKRZTC-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.61
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 5197630) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID5197630
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c18-13-5-3-12(4-6-13)11-20-15(7-8-16(20)21)17(22)19-10-14-2-1-9-23-14/h3-6,14-15H,1-2,7-11H2,(H,19,22)
InChIKeyMZSXYHVLCKRZTC-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

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
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1-(4-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-5-oxoprolinamide
CID 3236574
1-cyclohexyl-N-(4-fluorobenzyl)-5-oxoprolinamide
CID 3238333
5-oxo-1-(2-phenylethyl)-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241684
1-(2-chlorobenzyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3245714
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4204658
N-(oxolan-2-ylmethyl)-N'-[[3-[[[2-oxo-2-(oxolan-2-ylmethylamino)acetyl]amino]methyl]phenyl]methyl]oxamide
CID 2851829
2-acetamido-N-benzyl-2-(oxolan-2-yl)acetamide
CID 14978595
(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67463436

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 5197630) is 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MZSXYHVLCKRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-13-5-3-12(4-6-13)11-20-15(7-8-16(20)21)17(22)19-10-14-2-1-9-23-14/h3-6,14-15H,1-2,7-11H2,(H,19,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[(4-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-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5197630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).