1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone

C18H19ClN2O — CID 110452236

IUPAC1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H19ClN2O/c1-13(22)21-11-9-15-12-17(6-7-18(15)21)20-10-8-14-2-4-16(19)5-3-14/h2-7,12,20H,8-11H2,1H3
InChIKeyNIWDMSWJRBANTG-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.90
Rot. Bonds4

About 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110452236) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID110452236
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H19ClN2O/c1-13(22)21-11-9-15-12-17(6-7-18(15)21)20-10-8-14-2-4-16(19)5-3-14/h2-7,12,20H,8-11H2,1H3
InChIKeyNIWDMSWJRBANTG-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone
CID 177246549
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone (CID 110452236) is 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is NIWDMSWJRBANTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13(22)21-11-9-15-12-17(6-7-18(15)21)20-10-8-14-2-4-16(19)5-3-14/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 314.82 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110452236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).