2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone

C10H9Cl2NO — CID 166404156

IUPAC2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CCl)N1CCc2cccc(Cl)c21
InChIInChI=1S/C10H9Cl2NO/c11-6-9(14)13-5-4-7-2-1-3-8(12)10(7)13/h1-3H,4-6H2
InChIKeyCSLTYKSPNNBTGB-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.47
Rot. Bonds1

About 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone

2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 166404156) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
PubChem CID166404156
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CCl)N1CCc2cccc(Cl)c21
InChIInChI=1S/C10H9Cl2NO/c11-6-9(14)13-5-4-7-2-1-3-8(12)10(7)13/h1-3H,4-6H2
InChIKeyCSLTYKSPNNBTGB-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(7-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
CID 166407068
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
2-chloro-1-(4,5-dichloro-2,3-dihydroindol-1-yl)ethanone
CID 167920399
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 114455890
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
CID 114455603
1-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)ethenyl hypochlorite
CID 69431777
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
N-(2,6-dichlorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113134217
1-(6-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
CID 161249752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone (CID 166404156) is 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone is O=C(CCl)N1CCc2cccc(Cl)c21.
What is the InChIKey of 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CSLTYKSPNNBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-6-9(14)13-5-4-7-2-1-3-8(12)10(7)13/h1-3H,4-6H2.
What are the key properties of 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone?
2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 230.09 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 166404156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).