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

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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).