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

C16H11Cl2NO — CID 63490590

IUPAC2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-13-6-5-10(7-14(13)18)8-16(20)12-9-19-15-4-2-1-3-11(12)15/h1-7,9,19H,8H2
InChIKeyFMSKIRQWHQDDDM-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.90
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone (PubChem CID 63490590) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
PubChem CID63490590
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-13-6-5-10(7-14(13)18)8-16(20)12-9-19-15-4-2-1-3-11(12)15/h1-7,9,19H,8H2
InChIKeyFMSKIRQWHQDDDM-UHFFFAOYSA-N
XLogP4.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
2-(3,4-dichlorophenyl)-1-isoquinolin-4-ylethanone
CID 63940735
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide
CID 78630599
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone (CID 63490590) is 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is FMSKIRQWHQDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-13-6-5-10(7-14(13)18)8-16(20)12-9-19-15-4-2-1-3-11(12)15/h1-7,9,19H,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 304.18 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 63490590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).