2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone

C10H9Cl2NO — CID 87795518

IUPAC2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESO=C(CCl)c1cc2c(cc1Cl)NCC2
InChIInChI=1S/C10H9Cl2NO/c11-5-10(14)7-3-6-1-2-13-9(6)4-8(7)12/h3-4,13H,1-2,5H2
InChIKeyFFQIGZXURKMYCH-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone

2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 87795518) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID87795518
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESO=C(CCl)c1cc2c(cc1Cl)NCC2
InChIInChI=1S/C10H9Cl2NO/c11-5-10(14)7-3-6-1-2-13-9(6)4-8(7)12/h3-4,13H,1-2,5H2
InChIKeyFFQIGZXURKMYCH-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
6-chloro-5-methyl-2,3-dihydro-1H-indole
CID 22186080
6-chloro-2,3-dihydro-1H-indol-5-amine
CID 82413004
5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole
CID 141297006
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 117110479
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole
CID 82392082
5-chloro-6-nitro-2,3-dihydro-1H-indole
CID 126455496
N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 90701518
1-(4-amino-2-chloro-5-hydroxyphenyl)-2-chloroethanone
CID 171022889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone (CID 87795518) is 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone is O=C(CCl)c1cc2c(cc1Cl)NCC2.
What is the InChIKey of 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is FFQIGZXURKMYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-5-10(14)7-3-6-1-2-13-9(6)4-8(7)12/h3-4,13H,1-2,5H2.
What are the key properties of 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone?
2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 230.09 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 87795518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).