6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one

C15H9Cl2F2NO — CID 62660055

IUPAC6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3cccc(F)c3F)c(Cl)cc2N1
InChIInChI=1S/C15H9Cl2F2NO/c16-10-6-12-7(5-13(21)20-12)4-9(10)14(17)8-2-1-3-11(18)15(8)19/h1-4,6,14H,5H2,(H,20,21)
InChIKeyJSTIKDJCEQYHQA-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.44
Rot. Bonds2

About 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 62660055) has the molecular formula C15H9Cl2F2NO and a molecular weight of 328.15 g/mol. Its IUPAC name is 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID62660055
Molecular FormulaC15H9Cl2F2NO
Molecular Weight328.15 g/mol
Exact Mass327.00
IUPAC Name6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3cccc(F)c3F)c(Cl)cc2N1
InChIInChI=1S/C15H9Cl2F2NO/c16-10-6-12-7(5-13(21)20-12)4-9(10)14(17)8-2-1-3-11(18)15(8)19/h1-4,6,14H,5H2,(H,20,21)
InChIKeyJSTIKDJCEQYHQA-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.44
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

6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61084652
5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63443106
5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61097394
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[(3-bromothiophen-2-yl)-chloromethyl]-6-chloro-1,3-dihydroindol-2-one
CID 63797669
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one (CID 62660055) is 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)c3cccc(F)c3F)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is JSTIKDJCEQYHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2NO/c16-10-6-12-7(5-13(21)20-12)4-9(10)14(17)8-2-1-3-11(18)15(8)19/h1-4,6,14H,5H2,(H,20,21).
What are the key properties of 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 328.15 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62660055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).