2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone

C17H19FN2O3 — CID 141341446

IUPAC2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)CC1F
InChIInChI=1S/C17H19FN2O3/c1-11(21)13-7-19(15-6-4-3-5-12(13)15)10-17(22)20-8-14(18)16(9-20)23-2/h3-7,14,16H,8-10H2,1-2H3
InChIKeyHUYPOLIGBJXBDW-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.04
Rot. Bonds4

About 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone

2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone (PubChem CID 141341446) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone
PubChem CID141341446
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)CC1F
InChIInChI=1S/C17H19FN2O3/c1-11(21)13-7-19(15-6-4-3-5-12(13)15)10-17(22)20-8-14(18)16(9-20)23-2/h3-7,14,16H,8-10H2,1-2H3
InChIKeyHUYPOLIGBJXBDW-UHFFFAOYSA-N
XLogP2.04
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 56878336
(2S,3S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-N-[1-(3-chlorophenyl)cyclopropyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide
CID 71042473
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
1-[(2R,3S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-3,4-difluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one
CID 159918024
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506565
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone (CID 141341446) is 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone is COC1CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)CC1F.
What is the InChIKey of 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is HUYPOLIGBJXBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(21)13-7-19(15-6-4-3-5-12(13)15)10-17(22)20-8-14(18)16(9-20)23-2/h3-7,14,16H,8-10H2,1-2H3.
What are the key properties of 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone?
2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone has a molecular weight of 318.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-1-(3-fluoro-4-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 141341446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).