2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide

C16H19ClN2O2 — CID 143500326

IUPAC2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(C)=O)c2ccc(Cl)cc21
InChIInChI=1S/C16H19ClN2O2/c1-4-18(5-2)16(21)10-19-9-14(11(3)20)13-7-6-12(17)8-15(13)19/h6-9H,4-5,10H2,1-3H3
InChIKeyUTGLIGKSXQDRKN-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.37
Rot. Bonds5

About 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide

2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide (PubChem CID 143500326) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
PubChem CID143500326
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(C)=O)c2ccc(Cl)cc21
InChIInChI=1S/C16H19ClN2O2/c1-4-18(5-2)16(21)10-19-9-14(11(3)20)13-7-6-12(17)8-15(13)19/h6-9H,4-5,10H2,1-3H3
InChIKeyUTGLIGKSXQDRKN-UHFFFAOYSA-N
XLogP3.37
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-4-oxoquinolin-1-yl)-N,N-diethylacetamide
CID 100738906
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
methyl 6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carboxylate
CID 68504879
1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone
CID 143391073
1-(3-acetyl-6-methylindol-1-yl)propan-2-one
CID 126628917
methyl 1-[2-(diethylamino)-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indole-6-carboxylate
CID 2194489
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone
CID 143390978
N-(3-acetamidophenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 16832346
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
4-(3-acetyl-5-chloroindol-1-yl)butanenitrile
CID 117098496

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide (CID 143500326) is 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(C(C)=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide?
The InChIKey is UTGLIGKSXQDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-18(5-2)16(21)10-19-9-14(11(3)20)13-7-6-12(17)8-15(13)19/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide?
2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide has a molecular weight of 306.79 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 143500326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).