3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one

C17H17FN2O — CID 103493837

IUPAC3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
SMILESNc1cccc(CCC(=O)N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C17H17FN2O/c18-14-6-5-13-8-9-20(16(13)11-14)17(21)7-4-12-2-1-3-15(19)10-12/h1-3,5-6,10-11H,4,7-9,19H2
InChIKeyYTDHFJZBQGBDJN-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.93
Rot. Bonds3

About 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one

3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 103493837) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID103493837
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
SMILESNc1cccc(CCC(=O)N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C17H17FN2O/c18-14-6-5-13-8-9-20(16(13)11-14)17(21)7-4-12-2-1-3-15(19)10-12/h1-3,5-6,10-11H,4,7-9,19H2
InChIKeyYTDHFJZBQGBDJN-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one (CID 103493837) is 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one is Nc1cccc(CCC(=O)N2CCc3ccc(F)cc32)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is YTDHFJZBQGBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-6-5-13-8-9-20(16(13)11-14)17(21)7-4-12-2-1-3-15(19)10-12/h1-3,5-6,10-11H,4,7-9,19H2.
What are the key properties of 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 284.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 103493837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).