N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H12F4N2O2 — CID 113192355

IUPACN-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C17H12F4N2O2/c18-10-4-5-14(13(21)7-10)22-17(25)9-6-15(24)23(8-9)16-11(19)2-1-3-12(16)20/h1-5,7,9H,6,8H2,(H,22,25)
InChIKeyDDIKKKNGVCDRNP-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.23
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192355) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192355
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC NameN-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C17H12F4N2O2/c18-10-4-5-14(13(21)7-10)22-17(25)9-6-15(24)23(8-9)16-11(19)2-1-3-12(16)20/h1-5,7,9H,6,8H2,(H,22,25)
InChIKeyDDIKKKNGVCDRNP-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191025
1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113192285
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 154859529
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113192355) is N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1CC(=O)N(c2c(F)cccc2F)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DDIKKKNGVCDRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-10-4-5-14(13(21)7-10)22-17(25)9-6-15(24)23(8-9)16-11(19)2-1-3-12(16)20/h1-5,7,9H,6,8H2,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).