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

C18H15ClN2O — CID 113209785

IUPAC2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCc2ccccc21
InChIInChI=1S/C18H15ClN2O/c19-14-5-6-15-13(11-20-16(15)10-14)9-18(22)21-8-7-12-3-1-2-4-17(12)21/h1-6,10-11,20H,7-9H2
InChIKeyCNVVXXKTXJCUPX-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.95
Rot. Bonds2

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

2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 113209785) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID113209785
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCc2ccccc21
InChIInChI=1S/C18H15ClN2O/c19-14-5-6-15-13(11-20-16(15)10-14)9-18(22)21-8-7-12-3-1-2-4-17(12)21/h1-6,10-11,20H,7-9H2
InChIKeyCNVVXXKTXJCUPX-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 167782605
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
3-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 167947111
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2423316
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 113209785) is 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCc2ccccc21.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CNVVXXKTXJCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-14-5-6-15-13(11-20-16(15)10-14)9-18(22)21-8-7-12-3-1-2-4-17(12)21/h1-6,10-11,20H,7-9H2.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 310.78 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 113209785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).