3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one

C21H15ClN2O2 — CID 1488594

IUPAC3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one
SMILESO=C1C(=NOCc2cccc(Cl)c2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H15ClN2O2/c22-16-8-6-7-15(13-16)14-26-23-20-18-11-4-5-12-19(18)24(21(20)25)17-9-2-1-3-10-17/h1-13H,14H2
InChIKeyIGXLWUDDLGPTSF-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.94
Rot. Bonds4

About 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one

3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one (PubChem CID 1488594) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one
PubChem CID1488594
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one
SMILESO=C1C(=NOCc2cccc(Cl)c2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H15ClN2O2/c22-16-8-6-7-15(13-16)14-26-23-20-18-11-4-5-12-19(18)24(21(20)25)17-9-2-1-3-10-17/h1-13H,14H2
InChIKeyIGXLWUDDLGPTSF-UHFFFAOYSA-N
XLogP4.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.94
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-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one (CID 1488594) is 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one is O=C1C(=NOCc2cccc(Cl)c2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one?
The InChIKey is IGXLWUDDLGPTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-16-8-6-7-15(13-16)14-26-23-20-18-11-4-5-12-19(18)24(21(20)25)17-9-2-1-3-10-17/h1-13H,14H2.
What are the key properties of 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one?
3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one has a molecular weight of 362.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxyimino]-1-phenylindol-2-one is sourced from PubChem (CID 1488594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).