2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone

C18H15ClN2O — CID 78738416

IUPAC2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(CCl)N1c2ccccc2CC1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O/c19-10-18(22)21-16-8-4-1-5-12(16)9-17(21)14-11-20-15-7-3-2-6-13(14)15/h1-8,11,17,20H,9-10H2
InChIKeyPQYJLZJMJOLZCQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.04
Rot. Bonds2

About 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone

2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 78738416) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID78738416
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(CCl)N1c2ccccc2CC1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O/c19-10-18(22)21-16-8-4-1-5-12(16)9-17(21)14-11-20-15-7-3-2-6-13(14)15/h1-8,11,17,20H,9-10H2
InChIKeyPQYJLZJMJOLZCQ-UHFFFAOYSA-N
XLogP4.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
CID 92523760
1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine
CID 21489493
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7117347
(5R)-5-(1H-indol-3-ylmethyl)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2442754
1-(1H-indol-3-yl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55432355
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 5181055
2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 170442480
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
CID 175180665
(6R)-6-(1H-indol-3-yl)-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1143906
2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113209348
1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one
CID 23118670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone (CID 78738416) is 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone is O=C(CCl)N1c2ccccc2CC1c1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PQYJLZJMJOLZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-10-18(22)21-16-8-4-1-5-12(16)9-17(21)14-11-20-15-7-3-2-6-13(14)15/h1-8,11,17,20H,9-10H2.
What are the key properties of 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone?
2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 310.78 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 78738416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).