chempirical

(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine

C15H13N3O5CAS 69632-32-2315.29 g/mol

Open in Covalent MOL file
NHON+OO−N+OO−
AmideNitro

Properties

Molecular formula
C15H13N3O5
Molar mass
315.29 g/mol
Exact mass
315.0855 Da
logP
2.99Crippen estimate
Polar surface area
115.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69632-32-2
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChIKey
ABEVDCGKLRIYRW-SNVBAGLBSA-N
InChI
InChI=1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m1/s1

Weigh it out

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

Work with (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine

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

(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine74927-72-367 % similar (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine90761-62-967 % similar N-(4-Nitrophenyl)benzamide3393-96-245 % similar 1-(3,5-Dinitrophenyl)ethanone14401-75-344 % similar 3-Nitrobenzophenone2243-80-344 % similar Methyl 3,5-dinitrobenzoate2702-58-142 % similar Jnj 635330541802326-66-441 % similar 3,5-Dinitrobenzoyl chloride99-33-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook