N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

C22H17ClNO2P — CID 2335514

IUPACN-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(Nc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C22H17ClNO2P/c23-19-11-13-20(14-12-19)24-27(25)15-21(17-7-3-1-4-8-17)26-22(16-27)18-9-5-2-6-10-18/h1-16H,(H,24,25)
InChIKeyXQJJHBGTNILLEF-UHFFFAOYSA-N
MW393.81 g/mol
LogP7.06
Rot. Bonds4

About N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 2335514) has the molecular formula C22H17ClNO2P and a molecular weight of 393.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID2335514
Molecular FormulaC22H17ClNO2P
Molecular Weight393.81 g/mol
Exact Mass393.07
IUPAC NameN-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(Nc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C22H17ClNO2P/c23-19-11-13-20(14-12-19)24-27(25)15-21(17-7-3-1-4-8-17)26-22(16-27)18-9-5-2-6-10-18/h1-16H,(H,24,25)
InChIKeyXQJJHBGTNILLEF-UHFFFAOYSA-N
XLogP7.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.81
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 2335514) is N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(Nc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is XQJJHBGTNILLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClNO2P/c23-19-11-13-20(14-12-19)24-27(25)15-21(17-7-3-1-4-8-17)26-22(16-27)18-9-5-2-6-10-18/h1-16H,(H,24,25).
What are the key properties of N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 393.81 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 2335514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).