5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one

C14H8Cl3NO — CID 147482882

IUPAC5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(Cl)cc(Cl)cc3Cl)ccc2N1
InChIInChI=1S/C14H8Cl3NO/c15-9-5-10(16)14(11(17)6-9)7-1-2-12-8(3-7)4-13(19)18-12/h1-3,5-6H,4H2,(H,18,19)
InChIKeyFDZUKOOADNMWGS-UHFFFAOYSA-N
MW312.58 g/mol
LogP4.81
Rot. Bonds1

About 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one

5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one (PubChem CID 147482882) has the molecular formula C14H8Cl3NO and a molecular weight of 312.58 g/mol. Its IUPAC name is 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
PubChem CID147482882
Molecular FormulaC14H8Cl3NO
Molecular Weight312.58 g/mol
Exact Mass310.97
IUPAC Name5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(Cl)cc(Cl)cc3Cl)ccc2N1
InChIInChI=1S/C14H8Cl3NO/c15-9-5-10(16)14(11(17)6-9)7-1-2-12-8(3-7)4-13(19)18-12/h1-3,5-6H,4H2,(H,18,19)
InChIKeyFDZUKOOADNMWGS-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
CID 122655598
4-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]benzonitrile
CID 122655667
5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydroindol-2-one
CID 122655642
2-[3-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 122655715
2-[3,4-dichloro-2-(2-oxo-1,3-dihydroindol-5-yl)phenyl]acetonitrile
CID 122655754
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-thiophen-2-yl-1,3-dihydroindol-2-one
CID 16637508
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
6-chloro-5-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 121317048
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one (CID 147482882) is 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(Cl)cc(Cl)cc3Cl)ccc2N1.
What is the InChIKey of 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one?
The InChIKey is FDZUKOOADNMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO/c15-9-5-10(16)14(11(17)6-9)7-1-2-12-8(3-7)4-13(19)18-12/h1-3,5-6H,4H2,(H,18,19).
What are the key properties of 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one?
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one has a molecular weight of 312.58 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 147482882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).