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

C₁₇H₁₄NO₅PCAS 13989-98-5343.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₄NO₅P
Molar mass: 343.27 g/mol
Exact mass: 343.0610 Da
logP: 3.95Crippen estimate
Polar surface area: 99.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

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)

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Names and synonyms

4 names

2-Naphthalenecarboxamide, N-phenyl-3-(phosphonooxy)-
2-Naphthanilide, 3-hydroxy-, dihydrogen phosphate (ester)
2-Naphthanilide, 3-hydroxy-, phosphate
Naphthol AS 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

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