1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone

C17H17ClN2O — CID 67223454

IUPAC1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H17ClN2O/c1-12(21)20-9-8-14-4-7-16(10-17(14)20)19-11-13-2-5-15(18)6-3-13/h2-7,10,19H,8-9,11H2,1H3
InChIKeyBMOUYRFKNDZUBJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.86
Rot. Bonds3

About 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone

1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 67223454) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID67223454
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H17ClN2O/c1-12(21)20-9-8-14-4-7-16(10-17(14)20)19-11-13-2-5-15(18)6-3-13/h2-7,10,19H,8-9,11H2,1H3
InChIKeyBMOUYRFKNDZUBJ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
1-[5-[[4-(4-chloro-2-nitrophenoxy)phenyl]methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 112839439
1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167902580
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 110313457
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 30372089
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone (CID 67223454) is 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3)cc21.
What is the InChIKey of 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is BMOUYRFKNDZUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12(21)20-9-8-14-4-7-16(10-17(14)20)19-11-13-2-5-15(18)6-3-13/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 300.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 67223454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).