1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone

C17H17FN2O — CID 43230566

IUPAC1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCc3cccc(F)c3)ccc21
InChIInChI=1S/C17H17FN2O/c1-12(21)20-8-7-14-10-16(5-6-17(14)20)19-11-13-3-2-4-15(18)9-13/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyYDPJAHHLCAIRCB-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.35
Rot. Bonds3

About 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 43230566) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID43230566
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCc3cccc(F)c3)ccc21
InChIInChI=1S/C17H17FN2O/c1-12(21)20-8-7-14-10-16(5-6-17(14)20)19-11-13-3-2-4-15(18)9-13/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyYDPJAHHLCAIRCB-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-[(3-fluorophenyl)methylamino]-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

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 17461202
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
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098298
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098297
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 106935907
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone (CID 43230566) is 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCc3cccc(F)c3)ccc21.
What is the InChIKey of 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YDPJAHHLCAIRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12(21)20-8-7-14-10-16(5-6-17(14)20)19-11-13-3-2-4-15(18)9-13/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 284.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 43230566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).