2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone

C16H13F2NO — CID 105412085

IUPAC2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H13F2NO/c17-13-5-10(6-14(18)9-13)7-16(20)12-2-1-11-3-4-19-15(11)8-12/h1-2,5-6,8-9,19H,3-4,7H2
InChIKeyIJHSDIJURJOQHM-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.36
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone

2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (PubChem CID 105412085) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
PubChem CID105412085
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H13F2NO/c17-13-5-10(6-14(18)9-13)7-16(20)12-2-1-11-3-4-19-15(11)8-12/h1-2,5-6,8-9,19H,3-4,7H2
InChIKeyIJHSDIJURJOQHM-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-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-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 105412079
1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611973
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (CID 105412085) is 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1ccc2c(c1)NCC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The InChIKey is IJHSDIJURJOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-5-10(6-14(18)9-13)7-16(20)12-2-1-11-3-4-19-15(11)8-12/h1-2,5-6,8-9,19H,3-4,7H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone has a molecular weight of 273.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is sourced from PubChem (CID 105412085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).