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

C24H19F2N2O3P — CID 6900414

IUPACN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(N/N=C/c2ccc(OC(F)F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C24H19F2N2O3P/c25-24(26)30-21-13-11-18(12-14-21)15-27-28-32(29)16-22(19-7-3-1-4-8-19)31-23(17-32)20-9-5-2-6-10-20/h1-17,24H,(H,28,29)/b27-15+
InChIKeyNACVMZWTXCRGTA-JFLMPSFJSA-N
MW452.40 g/mol
LogP6.52
Rot. Bonds7

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

N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 6900414) has the molecular formula C24H19F2N2O3P and a molecular weight of 452.40 g/mol. Its IUPAC name is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID6900414
Molecular FormulaC24H19F2N2O3P
Molecular Weight452.40 g/mol
Exact Mass452.11
IUPAC NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(N/N=C/c2ccc(OC(F)F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C24H19F2N2O3P/c25-24(26)30-21-13-11-18(12-14-21)15-27-28-32(29)16-22(19-7-3-1-4-8-19)31-23(17-32)20-9-5-2-6-10-20/h1-17,24H,(H,28,29)/b27-15+
InChIKeyNACVMZWTXCRGTA-JFLMPSFJSA-N
XLogP6.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.40
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Acetic acid, (diphenylphosphinyl)-, ((4-methoxyphenyl)methylene)hydrazide
CID 9589122
(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine
CID 11371070
(E)-N-diphenylphosphoryl-1-(2-methoxyphenyl)methanimine
CID 11727396
N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325853
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
1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
CID 6901356
1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
CID 6905082
(E)-1-[4-(trifluoromethoxy)phenyl]-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
CID 21236551
(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368372
(E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
CID 19368627

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 6900414) is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(N/N=C/c2ccc(OC(F)F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is NACVMZWTXCRGTA-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H19F2N2O3P/c25-24(26)30-21-13-11-18(12-14-21)15-27-28-32(29)16-22(19-7-3-1-4-8-19)31-23(17-32)20-9-5-2-6-10-20/h1-17,24H,(H,28,29)/b27-15+.
What are the key properties of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 452.40 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 6900414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).