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

C21H23FN2O4 — CID 2891286

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C21H23FN2O4/c1-27-18-8-3-14(11-19(18)28-2)9-10-23-21(26)15-12-20(25)24(13-15)17-6-4-16(22)5-7-17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyXXBOUUDAEGAJES-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.55
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2891286) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2891286
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C21H23FN2O4/c1-27-18-8-3-14(11-19(18)28-2)9-10-23-21(26)15-12-20(25)24(13-15)17-6-4-16(22)5-7-17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyXXBOUUDAEGAJES-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ecabapide
CID 65885
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-phenylpyrrolidine-2,5-dione
CID 3679102
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5,6-dimethoxy-3-methyl-1H-indene-2-carboxamide
CID 137658819
N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4883651
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea
CID 729222
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2890119
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920590
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 3238981
2-[3-(3,4-dimethoxybenzyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3703260
1-(4-tert-butylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 5133943

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2891286) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XXBOUUDAEGAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-18-8-3-14(11-19(18)28-2)9-10-23-21(26)15-12-20(25)24(13-15)17-6-4-16(22)5-7-17/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2891286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).