4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one

C14H8Cl3NO — CID 3361368

IUPAC4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)c(Cl)c(Cl)c2C1c1ccccc1
InChIInChI=1S/C14H8Cl3NO/c15-8-6-9-11(13(17)12(8)16)10(14(19)18-9)7-4-2-1-3-5-7/h1-6,10H,(H,18,19)
InChIKeyDFZXOBNOUIIHBA-UHFFFAOYSA-N
MW312.58 g/mol
LogP4.73
Rot. Bonds1

About 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one

4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one (PubChem CID 3361368) has the molecular formula C14H8Cl3NO and a molecular weight of 312.58 g/mol. Its IUPAC name is 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one
PubChem CID3361368
Molecular FormulaC14H8Cl3NO
Molecular Weight312.58 g/mol
Exact Mass310.97
IUPAC Name4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Cl)c(Cl)c(Cl)c2C1c1ccccc1
InChIInChI=1S/C14H8Cl3NO/c15-8-6-9-11(13(17)12(8)16)10(14(19)18-9)7-4-2-1-3-5-7/h1-6,10H,(H,18,19)
InChIKeyDFZXOBNOUIIHBA-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one?
The IUPAC name of 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one (CID 3361368) is 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one?
The canonical SMILES for 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Cl)c(Cl)c(Cl)c2C1c1ccccc1.
What is the InChIKey of 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one?
The InChIKey is DFZXOBNOUIIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO/c15-8-6-9-11(13(17)12(8)16)10(14(19)18-9)7-4-2-1-3-5-7/h1-6,10H,(H,18,19).
What are the key properties of 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one?
4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one has a molecular weight of 312.58 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloro-3-phenyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 3361368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).