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

C16H13Cl2NO — CID 107311420

IUPAC2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CNc2ccccc21
InChIInChI=1S/C16H13Cl2NO/c17-13-6-3-4-10(16(13)18)8-15(20)12-9-19-14-7-2-1-5-11(12)14/h1-7,12,19H,8-9H2
InChIKeyAPKAKHVKUPQVFU-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.31
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 107311420) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID107311420
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CNc2ccccc21
InChIInChI=1S/C16H13Cl2NO/c17-13-6-3-4-10(16(13)18)8-15(20)12-9-19-14-7-2-1-5-11(12)14/h1-7,12,19H,8-9H2
InChIKeyAPKAKHVKUPQVFU-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116594603
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593548
2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116594673
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
1-(2,3-dihydro-1H-indol-3-yl)-4-pyrimidin-5-ylbutane-1,4-dione
CID 144689521

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 107311420) is 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(Cc1cccc(Cl)c1Cl)C1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is APKAKHVKUPQVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-6-3-4-10(16(13)18)8-15(20)12-9-19-14-7-2-1-5-11(12)14/h1-7,12,19H,8-9H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 306.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 107311420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).