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

C16H12Cl2FNO — CID 61084652

IUPAC6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)Cc3cccc(F)c3)c(Cl)cc2N1
InChIInChI=1S/C16H12Cl2FNO/c17-13(5-9-2-1-3-11(19)4-9)12-6-10-7-16(21)20-15(10)8-14(12)18/h1-4,6,8,13H,5,7H2,(H,20,21)
InChIKeyCUOHIPQZISUBBF-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.50
Rot. Bonds3

About 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one

6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 61084652) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID61084652
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)Cc3cccc(F)c3)c(Cl)cc2N1
InChIInChI=1S/C16H12Cl2FNO/c17-13(5-9-2-1-3-11(19)4-9)12-6-10-7-16(21)20-15(10)8-14(12)18/h1-4,6,8,13H,5,7H2,(H,20,21)
InChIKeyCUOHIPQZISUBBF-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.50
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-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61097394
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 63434327
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
6-[1-chloro-2-(3-fluorophenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 61086056

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one (CID 61084652) is 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)Cc3cccc(F)c3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is CUOHIPQZISUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c17-13(5-9-2-1-3-11(19)4-9)12-6-10-7-16(21)20-15(10)8-14(12)18/h1-4,6,8,13H,5,7H2,(H,20,21).
What are the key properties of 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 324.18 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61084652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).