5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one

C14H9Cl2NO — CID 4281892

IUPAC5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)c(Cl)cc2C1c1ccccc1
InChIInChI=1S/C14H9Cl2NO/c15-10-6-9-12(7-11(10)16)17-14(18)13(9)8-4-2-1-3-5-8/h1-7,13H,(H,17,18)
InChIKeyFLFQHALOGPZWPF-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.08
Rot. Bonds1

About 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one

5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one (PubChem CID 4281892) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one
PubChem CID4281892
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)c(Cl)cc2C1c1ccccc1
InChIInChI=1S/C14H9Cl2NO/c15-10-6-9-12(7-11(10)16)17-14(18)13(9)8-4-2-1-3-5-8/h1-7,13H,(H,17,18)
InChIKeyFLFQHALOGPZWPF-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one?
The IUPAC name of 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one (CID 4281892) is 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Cl)c(Cl)cc2C1c1ccccc1.
What is the InChIKey of 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one?
The InChIKey is FLFQHALOGPZWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-10-6-9-12(7-11(10)16)17-14(18)13(9)8-4-2-1-3-5-8/h1-7,13H,(H,17,18).
What are the key properties of 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one?
5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one has a molecular weight of 278.14 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 4281892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).