N-[phenoxy(phenyl)phosphoryl]aniline

C18H16NO2P — CID 3044786

IUPACN-[phenoxy(phenyl)phosphoryl]aniline
SMILESO=P(Nc1ccccc1)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO2P/c20-22(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H,19,20)
InChIKeyDGECWEILHYKJBU-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.70
Rot. Bonds5

About N-[phenoxy(phenyl)phosphoryl]aniline

N-[phenoxy(phenyl)phosphoryl]aniline (PubChem CID 3044786) has the molecular formula C18H16NO2P and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[phenoxy(phenyl)phosphoryl]aniline.

Molecular Properties

Compound NameN-[phenoxy(phenyl)phosphoryl]aniline
PubChem CID3044786
Molecular FormulaC18H16NO2P
Molecular Weight309.31 g/mol
Exact Mass309.09
IUPAC NameN-[phenoxy(phenyl)phosphoryl]aniline
SMILESO=P(Nc1ccccc1)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NO2P/c20-22(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H,19,20)
InChIKeyDGECWEILHYKJBU-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[phenoxy(phenyl)phosphoryl]aniline?
The IUPAC name of N-[phenoxy(phenyl)phosphoryl]aniline (CID 3044786) is N-[phenoxy(phenyl)phosphoryl]aniline.
What is the SMILES notation for N-[phenoxy(phenyl)phosphoryl]aniline?
The canonical SMILES for N-[phenoxy(phenyl)phosphoryl]aniline is O=P(Nc1ccccc1)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenoxy(phenyl)phosphoryl]aniline?
The InChIKey is DGECWEILHYKJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO2P/c20-22(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H,19,20).
What are the key properties of N-[phenoxy(phenyl)phosphoryl]aniline?
N-[phenoxy(phenyl)phosphoryl]aniline has a molecular weight of 309.31 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenoxy(phenyl)phosphoryl]aniline is sourced from PubChem (CID 3044786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).