5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one

C15H10ClF2NO2 — CID 122655642

IUPAC5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(Cl)cccc3OC(F)F)ccc2N1
InChIInChI=1S/C15H10ClF2NO2/c16-10-2-1-3-12(21-15(17)18)14(10)8-4-5-11-9(6-8)7-13(20)19-11/h1-6,15H,7H2,(H,19,20)
InChIKeyHRJFPGOVOZVBIE-UHFFFAOYSA-N
MW309.70 g/mol
LogP4.10
Rot. Bonds3

About 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one

5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one (PubChem CID 122655642) has the molecular formula C15H10ClF2NO2 and a molecular weight of 309.70 g/mol. Its IUPAC name is 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one
PubChem CID122655642
Molecular FormulaC15H10ClF2NO2
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(Cl)cccc3OC(F)F)ccc2N1
InChIInChI=1S/C15H10ClF2NO2/c16-10-2-1-3-12(21-15(17)18)14(10)8-4-5-11-9(6-8)7-13(20)19-11/h1-6,15H,7H2,(H,19,20)
InChIKeyHRJFPGOVOZVBIE-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one (CID 122655642) is 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(Cl)cccc3OC(F)F)ccc2N1.
What is the InChIKey of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one?
The InChIKey is HRJFPGOVOZVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO2/c16-10-2-1-3-12(21-15(17)18)14(10)8-4-5-11-9(6-8)7-13(20)19-11/h1-6,15H,7H2,(H,19,20).
What are the key properties of 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one?
5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one has a molecular weight of 309.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).