2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

C19H20FN3O3 — CID 87017956

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(c1ccccc1F)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H20FN3O3/c1-13(16-5-3-4-6-17(16)20)21(2)12-19(24)22-10-9-14-7-8-15(23(25)26)11-18(14)22/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyQXAQQDVBPCLMMQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 87017956) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID87017956
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(c1ccccc1F)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H20FN3O3/c1-13(16-5-3-4-6-17(16)20)21(2)12-19(24)22-10-9-14-7-8-15(23(25)26)11-18(14)22/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyQXAQQDVBPCLMMQ-UHFFFAOYSA-N
XLogP3.32
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-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

2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
2-[[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 38562265
3-[methyl-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911081
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 55837442
2-[1-cyclopropylethyl(methyl)amino]-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 75402610
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (CID 87017956) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is CC(c1ccccc1F)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is QXAQQDVBPCLMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-13(16-5-3-4-6-17(16)20)21(2)12-19(24)22-10-9-14-7-8-15(23(25)26)11-18(14)22/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 357.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 87017956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).