2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide

C12H15ClN2O — CID 138580598

IUPAC2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2c(C)cc(Cl)cc21
InChIInChI=1S/C12H15ClN2O/c1-8-5-9(13)6-11-10(8)3-4-15(11)7-12(16)14-2/h5-6H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyDIQGNYBIAPZRLX-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.76
Rot. Bonds2

About 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide

2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide (PubChem CID 138580598) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide
PubChem CID138580598
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2c(C)cc(Cl)cc21
InChIInChI=1S/C12H15ClN2O/c1-8-5-9(13)6-11-10(8)3-4-15(11)7-12(16)14-2/h5-6H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyDIQGNYBIAPZRLX-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide (CID 138580598) is 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide is CNC(=O)CN1CCc2c(C)cc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide?
The InChIKey is DIQGNYBIAPZRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-5-9(13)6-11-10(8)3-4-15(11)7-12(16)14-2/h5-6H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide?
2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide has a molecular weight of 238.72 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2,3-dihydroindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 138580598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).