1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone

C11H13ClN2O — CID 119788770

IUPAC1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C11H13ClN2O/c1-13-7-11(15)14-6-5-8-9(12)3-2-4-10(8)14/h2-4,13H,5-7H2,1H3
InChIKeyJMGSYXUDYHZARA-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.45
Rot. Bonds2

About 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone

1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone (PubChem CID 119788770) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
PubChem CID119788770
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C11H13ClN2O/c1-13-7-11(15)14-6-5-8-9(12)3-2-4-10(8)14/h2-4,13H,5-7H2,1H3
InChIKeyJMGSYXUDYHZARA-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
CID 171813658
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
CID 119939299
N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 126795585
[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 124877237
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939298
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
(4-chloro-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120633556
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone (CID 119788770) is 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone is CNCC(=O)N1CCc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone?
The InChIKey is JMGSYXUDYHZARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-13-7-11(15)14-6-5-8-9(12)3-2-4-10(8)14/h2-4,13H,5-7H2,1H3.
What are the key properties of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone?
1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone has a molecular weight of 224.69 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 119788770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).