2-(5-chloroindol-1-yl)-N,N-dimethylacetamide

C12H13ClN2O — CID 116623166

IUPAC2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8H2,1-2H3
InChIKeyXTVAQKVYQVGKFI-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.38
Rot. Bonds2

About 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide

2-(5-chloroindol-1-yl)-N,N-dimethylacetamide (PubChem CID 116623166) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
PubChem CID116623166
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8H2,1-2H3
InChIKeyXTVAQKVYQVGKFI-UHFFFAOYSA-N
XLogP2.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 63878175
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
3-(5-chloroindol-1-yl)-2,2-dimethylpropanoic acid
CID 79628987
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide (CID 116623166) is 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide?
The InChIKey is XTVAQKVYQVGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-14(2)12(16)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-7H,8H2,1-2H3.
What are the key properties of 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide?
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide has a molecular weight of 236.70 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 116623166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).