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

C23H18ClN2O2P — CID 6900307

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(N/N=C/c2ccccc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H18ClN2O2P/c24-21-14-8-7-13-20(21)15-25-26-29(27)16-22(18-9-3-1-4-10-18)28-23(17-29)19-11-5-2-6-12-19/h1-17H,(H,26,27)/b25-15+
InChIKeyPQGXVOUBXHHSCO-MFKUBSTISA-N
MW420.84 g/mol
LogP6.57
Rot. Bonds5

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

N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 6900307) has the molecular formula C23H18ClN2O2P and a molecular weight of 420.84 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID6900307
Molecular FormulaC23H18ClN2O2P
Molecular Weight420.84 g/mol
Exact Mass420.08
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(N/N=C/c2ccccc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H18ClN2O2P/c24-21-14-8-7-13-20(21)15-25-26-29(27)16-22(18-9-3-1-4-10-18)28-23(17-29)19-11-5-2-6-12-19/h1-17H,(H,26,27)/b25-15+
InChIKeyPQGXVOUBXHHSCO-MFKUBSTISA-N
XLogP6.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.84
LogP ≤ 56.57
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-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 6900307) is N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(N/N=C/c2ccccc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is PQGXVOUBXHHSCO-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18ClN2O2P/c24-21-14-8-7-13-20(21)15-25-26-29(27)16-22(18-9-3-1-4-10-18)28-23(17-29)19-11-5-2-6-12-19/h1-17H,(H,26,27)/b25-15+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 420.84 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 6900307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).