1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C16H18F2N2O3 — CID 113190639

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H18F2N2O3/c17-11-3-4-14(13(18)7-11)20-9-10(6-15(20)21)16(22)19-8-12-2-1-5-23-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,19,22)
InChIKeyBWGGLXFEHZBYJO-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.61
Rot. Bonds4

About 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113190639) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113190639
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H18F2N2O3/c17-11-3-4-14(13(18)7-11)20-9-10(6-15(20)21)16(22)19-8-12-2-1-5-23-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,19,22)
InChIKeyBWGGLXFEHZBYJO-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190839
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191716
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55607434
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
(3S)-1-(3-bromophenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 51935285
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113190639) is 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BWGGLXFEHZBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-11-3-4-14(13(18)7-11)20-9-10(6-15(20)21)16(22)19-8-12-2-1-5-23-12/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,19,22).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113190639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).