2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide

C18H24FN3O2 — CID 132764279

IUPAC2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1Cc1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C18H24FN3O2/c1-12-14-8-13(19)4-5-15(14)21-16(12)10-22-7-3-6-18(22,11-24-2)9-17(20)23/h4-5,8,21H,3,6-7,9-11H2,1-2H3,(H2,20,23)
InChIKeyQNPZLVPWALJQEY-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide

2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide (PubChem CID 132764279) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
PubChem CID132764279
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1Cc1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C18H24FN3O2/c1-12-14-8-13(19)4-5-15(14)21-16(12)10-22-7-3-6-18(22,11-24-2)9-17(20)23/h4-5,8,21H,3,6-7,9-11H2,1-2H3,(H2,20,23)
InChIKeyQNPZLVPWALJQEY-UHFFFAOYSA-N
XLogP2.47
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-2-phenyl-1H-indole
CID 44324065
1-isobutyl-2-(tetrahydro-2H-pyran-4-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16187307
3-{2-[2-((R)-Methoxymethyl)-pyrrolidin-1-yl]-ethyl}-2-phenyl-1H-indole
CID 44324084
(2S)-N-{[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}tetrahydrofuran-2-carboxamide
CID 70753788
US11787798, Example 106
CID 158527026
1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 70734606
1-cyclopentyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 70762298
1-tert-butyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 70775052
1-ethyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72910014
1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72939406
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2S)-oxolan-2-yl]methanone
CID 42534918
N-(2-methoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 46381950

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide (CID 132764279) is 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide is COCC1(CC(N)=O)CCCN1Cc1[nH]c2ccc(F)cc2c1C.
What is the InChIKey of 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
The InChIKey is QNPZLVPWALJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12-14-8-13(19)4-5-15(14)21-16(12)10-22-7-3-6-18(22,11-24-2)9-17(20)23/h4-5,8,21H,3,6-7,9-11H2,1-2H3,(H2,20,23).
What are the key properties of 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 132764279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).