3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C20H22Cl2N2O — CID 109033489

IUPAC3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O/c1-14-12-16-4-2-3-5-19(16)24(14)20(25)9-11-23-10-8-15-6-7-17(21)13-18(15)22/h2-7,13-14,23H,8-12H2,1H3
InChIKeyRDJPCURKUBUZBH-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.49
Rot. Bonds6

About 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 109033489) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID109033489
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O/c1-14-12-16-4-2-3-5-19(16)24(14)20(25)9-11-23-10-8-15-6-7-17(21)13-18(15)22/h2-7,13-14,23H,8-12H2,1H3
InChIKeyRDJPCURKUBUZBH-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dichlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100607219
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014364
3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109042608
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793407
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793311
N-(2,4-dichlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502910

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 109033489) is 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CC1Cc2ccccc2N1C(=O)CCNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is RDJPCURKUBUZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-14-12-16-4-2-3-5-19(16)24(14)20(25)9-11-23-10-8-15-6-7-17(21)13-18(15)22/h2-7,13-14,23H,8-12H2,1H3.
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 377.32 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 109033489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).