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

C23H18FN2O2P — CID 2325853

IUPACN-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NN=Cc2ccc(F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H18FN2O2P/c24-21-13-11-18(12-14-21)15-25-26-29(27)16-22(19-7-3-1-4-8-19)28-23(17-29)20-9-5-2-6-10-20/h1-17H,(H,26,27)
InChIKeyVOXDKGQSXLQIEE-UHFFFAOYSA-N
MW404.38 g/mol
LogP6.05
Rot. Bonds5

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

N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 2325853) has the molecular formula C23H18FN2O2P and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID2325853
Molecular FormulaC23H18FN2O2P
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NN=Cc2ccc(F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H18FN2O2P/c24-21-13-11-18(12-14-21)15-25-26-29(27)16-22(19-7-3-1-4-8-19)28-23(17-29)20-9-5-2-6-10-20/h1-17H,(H,26,27)
InChIKeyVOXDKGQSXLQIEE-UHFFFAOYSA-N
XLogP6.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.38
LogP ≤ 56.05
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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Related Compounds

4-oxo-2,6-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 2325856
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325857
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900410
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5669294
4-oxo-2,6-diphenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 5669297
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5669298
4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 6900413
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900414
N-[(2-chlorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2324398
4-oxo-2,6-diphenyl-N-[(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 2325854
4-[[(4-Oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]phenol
CID 2325888
4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 4270821

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 2325853) is N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(NN=Cc2ccc(F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is VOXDKGQSXLQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN2O2P/c24-21-13-11-18(12-14-21)15-25-26-29(27)16-22(19-7-3-1-4-8-19)28-23(17-29)20-9-5-2-6-10-20/h1-17H,(H,26,27).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 404.38 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 2325853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).