1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide

C25H22F2N2O3 — CID 55675244

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C25H22F2N2O3/c26-19-10-11-22(20(27)15-19)29-16-18(14-24(29)30)25(31)28-21-8-4-5-9-23(21)32-13-12-17-6-2-1-3-7-17/h1-11,15,18H,12-14,16H2,(H,28,31)
InChIKeyIELFDWYABAGBQY-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.58
Rot. Bonds7

About 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55675244) has the molecular formula C25H22F2N2O3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID55675244
Molecular FormulaC25H22F2N2O3
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C25H22F2N2O3/c26-19-10-11-22(20(27)15-19)29-16-18(14-24(29)30)25(31)28-21-8-4-5-9-23(21)32-13-12-17-6-2-1-3-7-17/h1-11,15,18H,12-14,16H2,(H,28,31)
InChIKeyIELFDWYABAGBQY-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55979557
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192355

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide (CID 55675244) is 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1OCCc1ccccc1)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IELFDWYABAGBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3/c26-19-10-11-22(20(27)15-19)29-16-18(14-24(29)30)25(31)28-21-8-4-5-9-23(21)32-13-12-17-6-2-1-3-7-17/h1-11,15,18H,12-14,16H2,(H,28,31).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.58, 7 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-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55675244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).