N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

C23H17Cl2N2O2P — CID 2325851

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NN=Cc2ccc(Cl)cc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H17Cl2N2O2P/c24-20-12-11-19(21(25)13-20)14-26-27-30(28)15-22(17-7-3-1-4-8-17)29-23(16-30)18-9-5-2-6-10-18/h1-16H,(H,27,28)
InChIKeyCDGIMHJFSQYGQF-UHFFFAOYSA-N
MW455.28 g/mol
LogP7.22
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 2325851) has the molecular formula C23H17Cl2N2O2P and a molecular weight of 455.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID2325851
Molecular FormulaC23H17Cl2N2O2P
Molecular Weight455.28 g/mol
Exact Mass454.04
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NN=Cc2ccc(Cl)cc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H17Cl2N2O2P/c24-20-12-11-19(21(25)13-20)14-26-27-30(28)15-22(17-7-3-1-4-8-17)29-23(16-30)18-9-5-2-6-10-18/h1-16H,(H,27,28)
InChIKeyCDGIMHJFSQYGQF-UHFFFAOYSA-N
XLogP7.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.28
LogP ≤ 57.22
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 2325851) is N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(NN=Cc2ccc(Cl)cc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is CDGIMHJFSQYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N2O2P/c24-20-12-11-19(21(25)13-20)14-26-27-30(28)15-22(17-7-3-1-4-8-17)29-23(16-30)18-9-5-2-6-10-18/h1-16H,(H,27,28).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 455.28 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 2325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).