2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide

C18H17FN2O2 — CID 108985213

IUPAC2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1ccccc1F)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17FN2O2/c19-15-7-3-1-5-13(15)9-11-20-17(22)18(23)21-12-10-14-6-2-4-8-16(14)21/h1-8H,9-12H2,(H,20,22)
InChIKeyNFFCOPGKAOOCKK-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.07
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide

2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide (PubChem CID 108985213) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
PubChem CID108985213
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1ccccc1F)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17FN2O2/c19-15-7-3-1-5-13(15)9-11-20-17(22)18(23)21-12-10-14-6-2-4-8-16(14)21/h1-8H,9-12H2,(H,20,22)
InChIKeyNFFCOPGKAOOCKK-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985370
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 108977368
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172543
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide (CID 108985213) is 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide is O=C(NCCc1ccccc1F)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
The InChIKey is NFFCOPGKAOOCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-7-3-1-5-13(15)9-11-20-17(22)18(23)21-12-10-14-6-2-4-8-16(14)21/h1-8H,9-12H2,(H,20,22).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide has a molecular weight of 312.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108985213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).