2-(1-acetylindol-3-yl)-1-phenylethanone

C18H15NO2 — CID 15749679

IUPAC2-(1-acetylindol-3-yl)-1-phenylethanone
SMILESCC(=O)n1cc(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-13(20)19-12-15(16-9-5-6-10-17(16)19)11-18(21)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyUSWUSFIZLABSLV-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.73
Rot. Bonds3

About 2-(1-acetylindol-3-yl)-1-phenylethanone

2-(1-acetylindol-3-yl)-1-phenylethanone (PubChem CID 15749679) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-acetylindol-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-acetylindol-3-yl)-1-phenylethanone
PubChem CID15749679
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(1-acetylindol-3-yl)-1-phenylethanone
SMILESCC(=O)n1cc(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-13(20)19-12-15(16-9-5-6-10-17(16)19)11-18(21)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyUSWUSFIZLABSLV-UHFFFAOYSA-N
XLogP3.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one
CID 86115850
1-(3-ethylindol-1-yl)-2-iodoethanone
CID 142121181
(2R)-3-(1-acetylindol-3-yl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 90032258
1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]indol-1-yl]ethanone
CID 23937849
2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
CID 19101741
(E)-4-(1-acetylindol-3-yl)but-3-en-2-one
CID 775095
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
1-[3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]indol-1-yl]ethanone
CID 171678908

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylindol-3-yl)-1-phenylethanone?
The IUPAC name of 2-(1-acetylindol-3-yl)-1-phenylethanone (CID 15749679) is 2-(1-acetylindol-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1-acetylindol-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(1-acetylindol-3-yl)-1-phenylethanone is CC(=O)n1cc(CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-acetylindol-3-yl)-1-phenylethanone?
The InChIKey is USWUSFIZLABSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13(20)19-12-15(16-9-5-6-10-17(16)19)11-18(21)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3.
What are the key properties of 2-(1-acetylindol-3-yl)-1-phenylethanone?
2-(1-acetylindol-3-yl)-1-phenylethanone has a molecular weight of 277.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylindol-3-yl)-1-phenylethanone is sourced from PubChem (CID 15749679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).