2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide

C12H12Cl2N2O — CID 103428458

IUPAC2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H12Cl2N2O/c1-15(2)12(17)7-16-4-3-9-10(14)5-8(13)6-11(9)16/h3-6H,7H2,1-2H3
InChIKeySLMMWWQAHPJMDF-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.04
Rot. Bonds2

About 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide

2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide (PubChem CID 103428458) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
PubChem CID103428458
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H12Cl2N2O/c1-15(2)12(17)7-16-4-3-9-10(14)5-8(13)6-11(9)16/h3-6H,7H2,1-2H3
InChIKeySLMMWWQAHPJMDF-UHFFFAOYSA-N
XLogP3.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
CID 103428376
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
CID 103427977
methyl 3-(4,6-dichloroindol-1-yl)-2,2-dimethylpropanoate
CID 103427749
4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
2-(7-chloro-4-oxoquinolin-1-yl)-N,N-diethylacetamide
CID 100738906

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide (CID 103428458) is 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide?
The InChIKey is SLMMWWQAHPJMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-15(2)12(17)7-16-4-3-9-10(14)5-8(13)6-11(9)16/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide?
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide has a molecular weight of 271.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 103428458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).