5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one

C15H9BrF2N2O2 — CID 135443158

IUPAC5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H9BrF2N2O2/c16-8-1-6-12-11(7-8)13(14(21)20-12)19-9-2-4-10(5-3-9)22-15(17)18/h1-7,15H,(H,19,20,21)
InChIKeyIBWVDPPHZAHGLB-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.12
Rot. Bonds3

About 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one

5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one (PubChem CID 135443158) has the molecular formula C15H9BrF2N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one
PubChem CID135443158
Molecular FormulaC15H9BrF2N2O2
Molecular Weight367.15 g/mol
Exact Mass365.98
IUPAC Name5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H9BrF2N2O2/c16-8-1-6-12-11(7-8)13(14(21)20-12)19-9-2-4-10(5-3-9)22-15(17)18/h1-7,15H,(H,19,20,21)
InChIKeyIBWVDPPHZAHGLB-UHFFFAOYSA-N
XLogP4.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one (CID 135443158) is 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one?
The InChIKey is IBWVDPPHZAHGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O2/c16-8-1-6-12-11(7-8)13(14(21)20-12)19-9-2-4-10(5-3-9)22-15(17)18/h1-7,15H,(H,19,20,21).
What are the key properties of 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one?
5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one has a molecular weight of 367.15 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(difluoromethoxy)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135443158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).