chempirical

Jnj 63533054

C17H17ClN2O2CAS 1802326-66-4316.78 g/mol

Open in Covalent MOL file
NHOHNOCl
AmideAryl halide

Properties

Molecular formula
C17H17ClN2O2
Molar mass
316.78 g/mol
Exact mass
316.0979 Da
logP
2.95Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1802326-66-4
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
InChIKey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
InChI
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1

Weigh it out

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

Work with Jnj 63533054

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

N-Hippurylglycine1145-32-044 % similar 3-Chlorobenzophenone1016-78-040 % similar 2-Bromo-1-(3-chlorophenyl)-1-propanone34911-51-838 % similar 1-(3-Chlorophenyl)-1-propanone34841-35-537 % similar (±)-Bupropion34911-55-237 % similar 1-(3-Chlorophenyl)ethanone99-02-537 % similar Mln97081201902-80-835 % similar Ethyl m-chlorobenzoate1128-76-335 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook