N-Phenyl-3-(phosphonooxy)-2-naphthalenecarboxamide

C17H14NO5PCAS 13989-98-5343.27 g/mol

Open in Covalent MOL file
OPHOOHOOHN
Phosphate

Properties

Molecular formula
C17H14NO5P
Molar mass
343.27 g/mol
Exact mass
343.0610 Da
logP
3.95Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13989-98-5
SMILES
O=P(O)(O)Oc1cc2ccccc2cc1C(O)=Nc1ccccc1
InChIKey
KVIYXIWBXOQZDN-UHFFFAOYSA-N
InChI
InChI=1S/C17H14NO5P/c19-17(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)23-24(20,21)22/h1-11H,(H,18,19)(H2,20,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Naphthalenecarboxamide, N-phenyl-3-(phosphonooxy)-
  • 2-Naphthanilide, 3-hydroxy-, dihydrogen phosphate (ester)
  • 2-Naphthanilide, 3-hydroxy-, phosphate
  • Naphthol AS phosphate
  • 3-(Phenylcarbamoyl)naphthalen-2-yl dihydrogen phosphate

Work with N-Phenyl-3-(phosphonooxy)-2-naphthalenecarboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide1163-67-358 % similar Naphthol AS92-77-352 % similar Fosfosal6064-83-145 % similar 1-Naphthyl phosphate1136-89-644 % similar Phthalanilic acid4727-29-141 % similar 3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide135-64-841 % similar Salicylanilide87-17-240 % similar 2-Amino-N-phenylbenzamide4424-17-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook