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

C16H15FN2O — CID 103493820

IUPAC2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESNc1cccc(CC(=O)N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c17-13-5-4-12-6-7-19(15(12)10-13)16(20)9-11-2-1-3-14(18)8-11/h1-5,8,10H,6-7,9,18H2
InChIKeyPLBOQAMYJZBWRJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.54
Rot. Bonds2

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

2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 103493820) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID103493820
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESNc1cccc(CC(=O)N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c17-13-5-4-12-6-7-19(15(12)10-13)16(20)9-11-2-1-3-14(18)8-11/h1-5,8,10H,6-7,9,18H2
InChIKeyPLBOQAMYJZBWRJ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.54
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

3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103493837
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
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-(2-amino-1,3-thiazol-4-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495292
1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 28933951
3-[2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]benzoic acid
CID 167824242
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone (CID 103493820) is 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone is Nc1cccc(CC(=O)N2CCc3ccc(F)cc32)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PLBOQAMYJZBWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-5-4-12-6-7-19(15(12)10-13)16(20)9-11-2-1-3-14(18)8-11/h1-5,8,10H,6-7,9,18H2.
What are the key properties of 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 270.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 103493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).