1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone

C17H17ClN2O — CID 110452814

IUPAC1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Nc3cc(Cl)ccc3C)ccc21
InChIInChI=1S/C17H17ClN2O/c1-11-3-4-14(18)10-16(11)19-15-5-6-17-13(9-15)7-8-20(17)12(2)21/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyUEXTZXRVFHYCGL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.30
Rot. Bonds2

About 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110452814) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID110452814
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Nc3cc(Cl)ccc3C)ccc21
InChIInChI=1S/C17H17ClN2O/c1-11-3-4-14(18)10-16(11)19-15-5-6-17-13(9-15)7-8-20(17)12(2)21/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyUEXTZXRVFHYCGL-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]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-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 167868003
1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452888
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 46248416
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 15840805
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone (CID 110452814) is 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(Nc3cc(Cl)ccc3C)ccc21.
What is the InChIKey of 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is UEXTZXRVFHYCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-3-4-14(18)10-16(11)19-15-5-6-17-13(9-15)7-8-20(17)12(2)21/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 300.79 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110452814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).