1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C20H20F2N2O2 — CID 113190668

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C20H20F2N2O2/c1-12(2)15-5-3-4-6-17(15)23-20(26)13-9-19(25)24(11-13)18-8-7-14(21)10-16(18)22/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,26)
InChIKeyYASVGKXGWSIKPL-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.08
Rot. Bonds4

About 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113190668) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113190668
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C20H20F2N2O2/c1-12(2)15-5-3-4-6-17(15)23-20(26)13-9-19(25)24(11-13)18-8-7-14(21)10-16(18)22/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,26)
InChIKeyYASVGKXGWSIKPL-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
1-(2,4-difluorophenyl)-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 46404177
methyl 2-[2-oxo-4-[(2-propan-2-ylphenyl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 113189194
1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191800
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55979557
1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55675244
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3S)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337338

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113190668) is 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YASVGKXGWSIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-12(2)15-5-3-4-6-17(15)23-20(26)13-9-19(25)24(11-13)18-8-7-14(21)10-16(18)22/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,26).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113190668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).