3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one

C23H15Cl2F3N2O2 — CID 2766665

IUPAC3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
SMILESO=C1C(=NOCc2ccc(Cl)cc2Cl)c2ccccc2N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15Cl2F3N2O2/c24-17-9-8-15(19(25)11-17)13-32-29-21-18-6-1-2-7-20(18)30(22(21)31)12-14-4-3-5-16(10-14)23(26,27)28/h1-11H,12-13H2
InChIKeyPFOYZIQWJDLLAG-UHFFFAOYSA-N
MW479.29 g/mol
LogP6.48
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one

3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one (PubChem CID 2766665) has the molecular formula C23H15Cl2F3N2O2 and a molecular weight of 479.29 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
PubChem CID2766665
Molecular FormulaC23H15Cl2F3N2O2
Molecular Weight479.29 g/mol
Exact Mass478.05
IUPAC Name3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
SMILESO=C1C(=NOCc2ccc(Cl)cc2Cl)c2ccccc2N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15Cl2F3N2O2/c24-17-9-8-15(19(25)11-17)13-32-29-21-18-6-1-2-7-20(18)30(22(21)31)12-14-4-3-5-16(10-14)23(26,27)28/h1-11H,12-13H2
InChIKeyPFOYZIQWJDLLAG-UHFFFAOYSA-N
XLogP6.48
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.29
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one (CID 2766665) is 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one is O=C1C(=NOCc2ccc(Cl)cc2Cl)c2ccccc2N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
The InChIKey is PFOYZIQWJDLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2O2/c24-17-9-8-15(19(25)11-17)13-32-29-21-18-6-1-2-7-20(18)30(22(21)31)12-14-4-3-5-16(10-14)23(26,27)28/h1-11H,12-13H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one?
3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one has a molecular weight of 479.29 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methoxyimino]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one is sourced from PubChem (CID 2766665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).