(N-aminoanilino)oxy-N-phenylphosphonamidic acid

C12H14N3O3P — CID 90478231

IUPAC(N-aminoanilino)oxy-N-phenylphosphonamidic acid
SMILESNN(OP(=O)(O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H14N3O3P/c13-15(12-9-5-2-6-10-12)18-19(16,17)14-11-7-3-1-4-8-11/h1-10H,13H2,(H2,14,16,17)
InChIKeyAZCNATNALXHURO-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.51
Rot. Bonds5

About (N-aminoanilino)oxy-N-phenylphosphonamidic acid

(N-aminoanilino)oxy-N-phenylphosphonamidic acid (PubChem CID 90478231) has the molecular formula C12H14N3O3P and a molecular weight of 279.24 g/mol. Its IUPAC name is (N-aminoanilino)oxy-N-phenylphosphonamidic acid.

Molecular Properties

Compound Name(N-aminoanilino)oxy-N-phenylphosphonamidic acid
PubChem CID90478231
Molecular FormulaC12H14N3O3P
Molecular Weight279.24 g/mol
Exact Mass279.08
IUPAC Name(N-aminoanilino)oxy-N-phenylphosphonamidic acid
SMILESNN(OP(=O)(O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H14N3O3P/c13-15(12-9-5-2-6-10-12)18-19(16,17)14-11-7-3-1-4-8-11/h1-10H,13H2,(H2,14,16,17)
InChIKeyAZCNATNALXHURO-UHFFFAOYSA-N
XLogP2.51
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[anilino-(N-dianilinophosphorylanilino)phosphoryl]aniline
CID 139073368
CID 67826545
CID 67826545
N,N-diphenylhydroxylamine;phosphoric acid
CID 175346911
N-[bis(propylamino)phosphoryl]aniline
CID 154418549
aniline;N-phenylaniline;phosphoric acid
CID 66746384
phenyl (N-phenylanilino) hydrogen phosphate
CID 140553969
(N-methylanilino) carbamate
CID 175107700
[N-(1,1-dihydroxyethyl)anilino] dihydrogen phosphate
CID 87224386
N-[bis(2-methylpropoxy)phosphoryl]aniline
CID 3065120
(N-carbamoylanilino)oxy-ethylphosphinic acid
CID 90007837
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381
N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015

Frequently Asked Questions

What is the IUPAC name of (N-aminoanilino)oxy-N-phenylphosphonamidic acid?
The IUPAC name of (N-aminoanilino)oxy-N-phenylphosphonamidic acid (CID 90478231) is (N-aminoanilino)oxy-N-phenylphosphonamidic acid.
What is the SMILES notation for (N-aminoanilino)oxy-N-phenylphosphonamidic acid?
The canonical SMILES for (N-aminoanilino)oxy-N-phenylphosphonamidic acid is NN(OP(=O)(O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (N-aminoanilino)oxy-N-phenylphosphonamidic acid?
The InChIKey is AZCNATNALXHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3O3P/c13-15(12-9-5-2-6-10-12)18-19(16,17)14-11-7-3-1-4-8-11/h1-10H,13H2,(H2,14,16,17).
What are the key properties of (N-aminoanilino)oxy-N-phenylphosphonamidic acid?
(N-aminoanilino)oxy-N-phenylphosphonamidic acid has a molecular weight of 279.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-aminoanilino)oxy-N-phenylphosphonamidic acid is sourced from PubChem (CID 90478231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).