3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide

C26H30FN3O3 — CID 45183273

IUPAC3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide
SMILESCOc1ccc(CC2(CCC(=O)NC(C)Cn3ccc4ccccc43)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H30FN3O3/c1-18(17-30-14-11-19-5-3-4-6-23(19)30)28-24(31)9-12-26(13-10-25(32)29-26)16-20-7-8-21(33-2)15-22(20)27/h3-8,11,14-15,18H,9-10,12-13,16-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyOZRPKPSMXIYYBK-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.97
Rot. Bonds9

About 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide

3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide (PubChem CID 45183273) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide
PubChem CID45183273
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide
SMILESCOc1ccc(CC2(CCC(=O)NC(C)Cn3ccc4ccccc43)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H30FN3O3/c1-18(17-30-14-11-19-5-3-4-6-23(19)30)28-24(31)9-12-26(13-10-25(32)29-26)16-20-7-8-21(33-2)15-22(20)27/h3-8,11,14-15,18H,9-10,12-13,16-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyOZRPKPSMXIYYBK-UHFFFAOYSA-N
XLogP3.97
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-((4-(2-(1H-Indol-1-yl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
CID 154005
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
c[L-Tyr(OMe)-D-pro-L-Phe-D-trp]
CID 44583387
c[L-Phe-D-pro-L-Tyr(OMe)-D-trp]
CID 44583388
1-(2-{4-[1-(4-Fluoro-phenyl)-5-methoxy-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006459
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 858406
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
2-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 2992425
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 3157603
3-(3-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327709
3,4-bis(6-methoxy-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5330715

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide?
The IUPAC name of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide (CID 45183273) is 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide is COc1ccc(CC2(CCC(=O)NC(C)Cn3ccc4ccccc43)CCC(=O)N2)c(F)c1.
What is the InChIKey of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide?
The InChIKey is OZRPKPSMXIYYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-18(17-30-14-11-19-5-3-4-6-23(19)30)28-24(31)9-12-26(13-10-25(32)29-26)16-20-7-8-21(33-2)15-22(20)27/h3-8,11,14-15,18H,9-10,12-13,16-17H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide?
3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide has a molecular weight of 451.54 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(1-indol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 45183273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).