2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone

C21H18N2O3 — CID 86728606

IUPAC2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccco2)c1
InChIInChI=1S/C21H18N2O3/c1-25-15-7-4-6-14(12-15)23-20(19-10-5-11-26-19)21(24)17-13-22-18-9-3-2-8-16(17)18/h2-13,20,22-23H,1H3
InChIKeyOPOYUFLTGBKGJZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.81
Rot. Bonds6

About 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone

2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone (PubChem CID 86728606) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
PubChem CID86728606
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccco2)c1
InChIInChI=1S/C21H18N2O3/c1-25-15-7-4-6-14(12-15)23-20(19-10-5-11-26-19)21(24)17-13-22-18-9-3-2-8-16(17)18/h2-13,20,22-23H,1H3
InChIKeyOPOYUFLTGBKGJZ-UHFFFAOYSA-N
XLogP4.81
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrazolo[1,5-a]pyridin-7-ylethanone
CID 86728634
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(6-methoxy-3-pyridinyl)ethanone
CID 86728843
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
CID 86728982
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
The IUPAC name of 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone (CID 86728606) is 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
The InChIKey is OPOYUFLTGBKGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-25-15-7-4-6-14(12-15)23-20(19-10-5-11-26-19)21(24)17-13-22-18-9-3-2-8-16(17)18/h2-13,20,22-23H,1H3.
What are the key properties of 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone has a molecular weight of 346.39 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone is sourced from PubChem (CID 86728606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).