N-[anilino(phenoxy)phosphoryl]aniline

C18H17N2O2P — CID 2305213

IUPACN-[anilino(phenoxy)phosphoryl]aniline
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17N2O2P/c21-23(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)
InChIKeyFWHSKMZYMIEBIT-UHFFFAOYSA-N
MW324.32 g/mol
LogP5.40
Rot. Bonds6

About N-[anilino(phenoxy)phosphoryl]aniline

N-[anilino(phenoxy)phosphoryl]aniline (PubChem CID 2305213) has the molecular formula C18H17N2O2P and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[anilino(phenoxy)phosphoryl]aniline.

Molecular Properties

Compound NameN-[anilino(phenoxy)phosphoryl]aniline
PubChem CID2305213
Molecular FormulaC18H17N2O2P
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN-[anilino(phenoxy)phosphoryl]aniline
SMILESO=P(Nc1ccccc1)(Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17N2O2P/c21-23(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)
InChIKeyFWHSKMZYMIEBIT-UHFFFAOYSA-N
XLogP5.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.32
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
Tris(4-isocyanatophenyl) thiophosphate
CID 77798
Phosphoric acid, p-aminophenyl diethyl ester
CID 197934
1-Fluoro-4-{[methyl(phenylamino)phosphoryl]oxy}benzene
CID 752278
Diphenyl N-(3-nitrophenyl)phosphoramidate
CID 2302272
N-diphenoxyphosphoryl-3-methoxyaniline
CID 2305383
N-diphenoxyphosphoryl-2,3-dimethylaniline
CID 2313167
Phosphoramidochloridic acid, N-phenyl-, phenyl ester
CID 103959
p-Aminophenol phosphate
CID 122271
N-bis(2-fluorophenoxy)phosphoryl-2-methylaniline
CID 1618088
Bis(3-methylphenyl) (4-fluorophenyl)amidophosphate
CID 2067177
N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
CID 2244588

Frequently Asked Questions

What is the IUPAC name of N-[anilino(phenoxy)phosphoryl]aniline?
The IUPAC name of N-[anilino(phenoxy)phosphoryl]aniline (CID 2305213) is N-[anilino(phenoxy)phosphoryl]aniline.
What is the SMILES notation for N-[anilino(phenoxy)phosphoryl]aniline?
The canonical SMILES for N-[anilino(phenoxy)phosphoryl]aniline is O=P(Nc1ccccc1)(Nc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-[anilino(phenoxy)phosphoryl]aniline?
The InChIKey is FWHSKMZYMIEBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O2P/c21-23(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,19,20,21).
What are the key properties of N-[anilino(phenoxy)phosphoryl]aniline?
N-[anilino(phenoxy)phosphoryl]aniline has a molecular weight of 324.32 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino(phenoxy)phosphoryl]aniline is sourced from PubChem (CID 2305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).