5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one

C16H13ClFNO — CID 61086410

IUPAC5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)Cc3ccccc3F)ccc2N1
InChIInChI=1S/C16H13ClFNO/c17-13(8-11-3-1-2-4-14(11)18)10-5-6-15-12(7-10)9-16(20)19-15/h1-7,13H,8-9H2,(H,19,20)
InChIKeyXHJWWBPJVOTKPO-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.84
Rot. Bonds3

About 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one

5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 61086410) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID61086410
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)Cc3ccccc3F)ccc2N1
InChIInChI=1S/C16H13ClFNO/c17-13(8-11-3-1-2-4-14(11)18)10-5-6-15-12(7-10)9-16(20)19-15/h1-7,13H,8-9H2,(H,19,20)
InChIKeyXHJWWBPJVOTKPO-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
6-[1-chloro-2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61084763
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
CID 61084776
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one (CID 61086410) is 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)Cc3ccccc3F)ccc2N1.
What is the InChIKey of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is XHJWWBPJVOTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13(8-11-3-1-2-4-14(11)18)10-5-6-15-12(7-10)9-16(20)19-15/h1-7,13H,8-9H2,(H,19,20).
What are the key properties of 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 289.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61086410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).