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

C18H13F2N3O2 — CID 46404023

IUPACN-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C18H13F2N3O2/c19-13-3-6-16(15(20)8-13)23-10-12(7-17(23)24)18(25)22-14-4-1-11(9-21)2-5-14/h1-6,8,12H,7,10H2,(H,22,25)
InChIKeyVIQIHTVDEYKSNT-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.83
Rot. Bonds3

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

N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46404023) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46404023
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C18H13F2N3O2/c19-13-3-6-16(15(20)8-13)23-10-12(7-17(23)24)18(25)22-14-4-1-11(9-21)2-5-14/h1-6,8,12H,7,10H2,(H,22,25)
InChIKeyVIQIHTVDEYKSNT-UHFFFAOYSA-N
XLogP2.83
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,4-difluorophenyl)-5-oxo-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 136707450
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
(3S)-N-(4-cyanophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351650
1-(2,4-difluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404012
N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51157698
1-(2,4-difluorophenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 55978568
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
N-(4-chloro-3-cyanophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55480879
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
1-(2,4-difluorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55616171
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 46404023) is N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3F)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VIQIHTVDEYKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-13-3-6-16(15(20)8-13)23-10-12(7-17(23)24)18(25)22-14-4-1-11(9-21)2-5-14/h1-6,8,12H,7,10H2,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46404023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).