3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one

C19H19ClNO2P — CID 72510094

IUPAC3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one
SMILESCCP(=O)(CC)c1ccc2c(c1)C(=Cc1cccc(Cl)c1)C(=O)N2
InChIInChI=1S/C19H19ClNO2P/c1-3-24(23,4-2)15-8-9-18-16(12-15)17(19(22)21-18)11-13-6-5-7-14(20)10-13/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyFBNYONXCPCWBSR-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.86
Rot. Bonds4

About 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one

3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one (PubChem CID 72510094) has the molecular formula C19H19ClNO2P and a molecular weight of 359.79 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one
PubChem CID72510094
Molecular FormulaC19H19ClNO2P
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one
SMILESCCP(=O)(CC)c1ccc2c(c1)C(=Cc1cccc(Cl)c1)C(=O)N2
InChIInChI=1S/C19H19ClNO2P/c1-3-24(23,4-2)15-8-9-18-16(12-15)17(19(22)21-18)11-13-6-5-7-14(20)10-13/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyFBNYONXCPCWBSR-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one (CID 72510094) is 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one is CCP(=O)(CC)c1ccc2c(c1)C(=Cc1cccc(Cl)c1)C(=O)N2.
What is the InChIKey of 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one?
The InChIKey is FBNYONXCPCWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClNO2P/c1-3-24(23,4-2)15-8-9-18-16(12-15)17(19(22)21-18)11-13-6-5-7-14(20)10-13/h5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one?
3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one has a molecular weight of 359.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one is sourced from PubChem (CID 72510094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).