1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one

C14H15Cl2NO — CID 103427821

IUPAC1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H15Cl2NO/c1-14(2,3)6-12(18)9-7-17-11-5-8(15)4-10(16)13(9)11/h4-5,7,17H,6H2,1-3H3
InChIKeyIKGMYFINZUWBSW-UHFFFAOYSA-N
MW284.19 g/mol
LogP5.09
Rot. Bonds2

About 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one

1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one (PubChem CID 103427821) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
PubChem CID103427821
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C14H15Cl2NO/c1-14(2,3)6-12(18)9-7-17-11-5-8(15)4-10(16)13(9)11/h4-5,7,17H,6H2,1-3H3
InChIKeyIKGMYFINZUWBSW-UHFFFAOYSA-N
XLogP5.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.19
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
CID 103427819
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 103427955
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
2-(4,6-dichloro-1H-indol-3-yl)ethanol
CID 21099158

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one (CID 103427821) is 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)c1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one?
The InChIKey is IKGMYFINZUWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-14(2,3)6-12(18)9-7-17-11-5-8(15)4-10(16)13(9)11/h4-5,7,17H,6H2,1-3H3.
What are the key properties of 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one?
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one has a molecular weight of 284.19 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103427821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).