2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone

C22H18N2O2 — CID 86729082

IUPAC2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Nc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-17-10-6-9-16(13-17)24-21(15-7-2-1-3-8-15)22(26)19-14-23-20-12-5-4-11-18(19)20/h1-14,21,23-25H
InChIKeyKYUAFDFZBOOJQH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.91
Rot. Bonds5

About 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone

2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 86729082) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID86729082
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
SMILESO=C(c1c[nH]c2ccccc12)C(Nc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-17-10-6-9-16(13-17)24-21(15-7-2-1-3-8-15)22(26)19-14-23-20-12-5-4-11-18(19)20/h1-14,21,23-25H
InChIKeyKYUAFDFZBOOJQH-UHFFFAOYSA-N
XLogP4.91
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 39912469
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline
CID 139374318
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
1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
CID 86728658
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
1-(1H-indol-3-yl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-2-phenylethanone
CID 86728918
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone (CID 86729082) is 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone is O=C(c1c[nH]c2ccccc12)C(Nc1cccc(O)c1)c1ccccc1.
What is the InChIKey of 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is KYUAFDFZBOOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-17-10-6-9-16(13-17)24-21(15-7-2-1-3-8-15)22(26)19-14-23-20-12-5-4-11-18(19)20/h1-14,21,23-25H.
What are the key properties of 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 342.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 86729082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).