1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone

C16H14ClFN2O — CID 28933951

IUPAC1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNc1ccc2c(c1)N(C(=O)Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H14ClFN2O/c17-13-2-1-3-14(18)12(13)9-16(21)20-7-6-10-4-5-11(19)8-15(10)20/h1-5,8H,6-7,9,19H2
InChIKeyALYLFQVGZLXBPI-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.19
Rot. Bonds2

About 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 28933951) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID28933951
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESNc1ccc2c(c1)N(C(=O)Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H14ClFN2O/c17-13-2-1-3-14(18)12(13)9-16(21)20-7-6-10-4-5-11(19)8-15(10)20/h1-5,8H,6-7,9,19H2
InChIKeyALYLFQVGZLXBPI-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.19
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-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 29080631
6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 43544036
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
2-(2,6-dichlorophenyl)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 18102372
3-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103493837

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 28933951) is 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone is Nc1ccc2c(c1)N(C(=O)Cc1c(F)cccc1Cl)CC2.
What is the InChIKey of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is ALYLFQVGZLXBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-2-1-3-14(18)12(13)9-16(21)20-7-6-10-4-5-11(19)8-15(10)20/h1-5,8H,6-7,9,19H2.
What are the key properties of 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 304.75 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 28933951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).