2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide

C13H14Cl2N2O — CID 103428284

IUPAC2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H14Cl2N2O/c1-3-16(2)13(18)8-17-5-4-10-11(15)6-9(14)7-12(10)17/h4-7H,3,8H2,1-2H3
InChIKeyAQEZAWFBBITEPN-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.43
Rot. Bonds3

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

2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 103428284) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID103428284
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H14Cl2N2O/c1-3-16(2)13(18)8-17-5-4-10-11(15)6-9(14)7-12(10)17/h4-7H,3,8H2,1-2H3
InChIKeyAQEZAWFBBITEPN-UHFFFAOYSA-N
XLogP3.43
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
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-(7-chloro-4-oxoquinolin-1-yl)-N,N-diethylacetamide
CID 100738906
1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
CID 103427977
4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
CID 103428376
N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
CID 116619982
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
methyl 3-(4,6-dichloroindol-1-yl)-2,2-dimethylpropanoate
CID 103427749
4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide (CID 103428284) is 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is AQEZAWFBBITEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-3-16(2)13(18)8-17-5-4-10-11(15)6-9(14)7-12(10)17/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide?
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 285.17 g/mol, XLogP of 3.43, 3 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-ethyl-N-methylacetamide is sourced from PubChem (CID 103428284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).