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

C17H17ClN2O — CID 26507089

IUPAC2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc(Cl)ccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-12-10-14(18)6-7-15(12)19-11-17(21)20-9-8-13-4-2-3-5-16(13)20/h2-7,10,19H,8-9,11H2,1H3
InChIKeyPGLDEBSVJREARX-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.65
Rot. Bonds3

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

2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 26507089) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID26507089
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc(Cl)ccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-12-10-14(18)6-7-15(12)19-11-17(21)20-9-8-13-4-2-3-5-16(13)20/h2-7,10,19H,8-9,11H2,1H3
InChIKeyPGLDEBSVJREARX-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzamide
CID 18286918
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
CID 42067940
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone (CID 26507089) is 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone is Cc1cc(Cl)ccc1NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PGLDEBSVJREARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-10-14(18)6-7-15(12)19-11-17(21)20-9-8-13-4-2-3-5-16(13)20/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 300.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 26507089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).