1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O4 — CID 51148416

IUPAC1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)c(OC)c1
InChIInChI=1S/C19H19FN2O4/c1-25-15-7-8-16(17(10-15)26-2)22-11-12(9-18(22)23)19(24)21-14-5-3-13(20)4-6-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,24)
InChIKeyYGXQZRNODIZEDL-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.83
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51148416) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51148416
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)c(OC)c1
InChIInChI=1S/C19H19FN2O4/c1-25-15-7-8-16(17(10-15)26-2)22-11-12(9-18(22)23)19(24)21-14-5-3-13(20)4-6-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,24)
InChIKeyYGXQZRNODIZEDL-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
methyl 4-[[(3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9351557
(3S)-N-(4-cyanophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351650
N-(2,5-difluorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51158561
N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55989975
(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136869730
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 51148416) is 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(F)cc3)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YGXQZRNODIZEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-25-15-7-8-16(17(10-15)26-2)22-11-12(9-18(22)23)19(24)21-14-5-3-13(20)4-6-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,24).
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51148416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).