N-diphenoxyphosphorylaniline

C18H16NO3P — CID 19708

IUPACN-diphenoxyphosphorylaniline
SMILESO=P(Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H,19,20)
InChIKeyFZNQHYXSPNEFAI-UHFFFAOYSA-N
MW325.30 g/mol
LogP5.36
Rot. Bonds6

About N-diphenoxyphosphorylaniline

N-diphenoxyphosphorylaniline (PubChem CID 19708) has the molecular formula C18H16NO3P and a molecular weight of 325.30 g/mol. Its IUPAC name is N-diphenoxyphosphorylaniline.

Molecular Properties

Compound NameN-diphenoxyphosphorylaniline
PubChem CID19708
Molecular FormulaC18H16NO3P
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC NameN-diphenoxyphosphorylaniline
SMILESO=P(Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H,19,20)
InChIKeyFZNQHYXSPNEFAI-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.30
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
4-methoxy-N-[(4-methoxyanilino)-phenoxyphosphoryl]aniline
CID 2305211
4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
CID 2305212

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphorylaniline?
The IUPAC name of N-diphenoxyphosphorylaniline (CID 19708) is N-diphenoxyphosphorylaniline.
What is the SMILES notation for N-diphenoxyphosphorylaniline?
The canonical SMILES for N-diphenoxyphosphorylaniline is O=P(Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-diphenoxyphosphorylaniline?
The InChIKey is FZNQHYXSPNEFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H,19,20).
What are the key properties of N-diphenoxyphosphorylaniline?
N-diphenoxyphosphorylaniline has a molecular weight of 325.30 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphorylaniline is sourced from PubChem (CID 19708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).