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

C16H13ClFNO — CID 103052472

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H13ClFNO/c17-13-3-4-14(18)12(7-13)9-16(20)11-2-1-10-5-6-19-15(10)8-11/h1-4,7-8,19H,5-6,9H2
InChIKeyFCWYEPNNMOTERY-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.87
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (PubChem CID 103052472) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
PubChem CID103052472
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H13ClFNO/c17-13-3-4-14(18)12(7-13)9-16(20)11-2-1-10-5-6-19-15(10)8-11/h1-4,7-8,19H,5-6,9H2
InChIKeyFCWYEPNNMOTERY-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554419
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103052466
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (CID 103052472) is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is O=C(Cc1cc(Cl)ccc1F)c1ccc2c(c1)NCC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The InChIKey is FCWYEPNNMOTERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-3-4-14(18)12(7-13)9-16(20)11-2-1-10-5-6-19-15(10)8-11/h1-4,7-8,19H,5-6,9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone has a molecular weight of 289.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is sourced from PubChem (CID 103052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).