1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone

C24H17ClN2O — CID 18807557

IUPAC1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17ClN2O/c25-16-11-9-15(10-12-16)24(28)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27H
InChIKeyZFWUOWZRVUAANX-UHFFFAOYSA-N
MW384.87 g/mol
LogP6.32
Rot. Bonds4

About 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone

1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone (PubChem CID 18807557) has the molecular formula C24H17ClN2O and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
PubChem CID18807557
Molecular FormulaC24H17ClN2O
Molecular Weight384.87 g/mol
Exact Mass384.10
IUPAC Name1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17ClN2O/c25-16-11-9-15(10-12-16)24(28)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27H
InChIKeyZFWUOWZRVUAANX-UHFFFAOYSA-N
XLogP6.32
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone 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

3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole
CID 134163446
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
(NZ)-N-[1-(4-fluorophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 138403064
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 85469647
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone (CID 18807557) is 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone is O=C(c1ccc(Cl)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
The InChIKey is ZFWUOWZRVUAANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O/c25-16-11-9-15(10-12-16)24(28)23(19-13-26-21-7-3-1-5-17(19)21)20-14-27-22-8-4-2-6-18(20)22/h1-14,23,26-27H.
What are the key properties of 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone?
1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone has a molecular weight of 384.87 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone is sourced from PubChem (CID 18807557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).