N-diphenoxyphosphoryl-3-nitroaniline

C18H15N2O5P — CID 2302272

IUPACN-diphenoxyphosphoryl-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C18H15N2O5P/c21-20(22)16-9-7-8-15(14-16)19-26(23,24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h1-14H,(H,19,23)
InChIKeyDWLHGLWDLUEAEN-UHFFFAOYSA-N
MW370.30 g/mol
LogP5.27
Rot. Bonds7

About N-diphenoxyphosphoryl-3-nitroaniline

N-diphenoxyphosphoryl-3-nitroaniline (PubChem CID 2302272) has the molecular formula C18H15N2O5P and a molecular weight of 370.30 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-3-nitroaniline.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-3-nitroaniline
PubChem CID2302272
Molecular FormulaC18H15N2O5P
Molecular Weight370.30 g/mol
Exact Mass370.07
IUPAC NameN-diphenoxyphosphoryl-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C18H15N2O5P/c21-20(22)16-9-7-8-15(14-16)19-26(23,24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h1-14H,(H,19,23)
InChIKeyDWLHGLWDLUEAEN-UHFFFAOYSA-N
XLogP5.27
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Bis(p-nitrophenyl) phosphate
CID 255
Diphenyl N-phenylphosphoramidate
CID 19708
Tris(4-nitrophenyl) phosphate
CID 77473
Bis(4-nitrophenyl)phosphate, sodium salt
CID 3014253
Bis(4-nitrophenyl) P-phenylphosphonate
CID 170133
Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)
CID 104209
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213
p-Nitrophenyl diphenyl phosphate
CID 25200
Bis(4-nitrophenyl) methylphosphonate
CID 98876
O,O,O-Tris(4-nitrophenyl) thiophosphate
CID 101389
Phenol, p-amino-, phosphate (3:1) (ester)
CID 199470
Phosphonamidic acid, N,P-diphenyl-, phenyl ester
CID 3044786

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphoryl-3-nitroaniline?
The IUPAC name of N-diphenoxyphosphoryl-3-nitroaniline (CID 2302272) is N-diphenoxyphosphoryl-3-nitroaniline.
What is the SMILES notation for N-diphenoxyphosphoryl-3-nitroaniline?
The canonical SMILES for N-diphenoxyphosphoryl-3-nitroaniline is O=[N+]([O-])c1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of N-diphenoxyphosphoryl-3-nitroaniline?
The InChIKey is DWLHGLWDLUEAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O5P/c21-20(22)16-9-7-8-15(14-16)19-26(23,24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h1-14H,(H,19,23).
What are the key properties of N-diphenoxyphosphoryl-3-nitroaniline?
N-diphenoxyphosphoryl-3-nitroaniline has a molecular weight of 370.30 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-3-nitroaniline is sourced from PubChem (CID 2302272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).