Bms-986205

C₂₄H₂₄ClFN₂OCAS 1923833-60-6410.92 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₂₄H₂₄ClFN₂O
Molar mass: 410.92 g/mol
Exact mass: 410.1561 Da
logP: 6.58Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
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

1923833-60-6

SMILES

C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl

InChIKey

KRTIYQIPSAGSBP-KLAILNCOSA-N

InChI

InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1

Weigh it out

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

Names and synonyms

1 names

(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide

Work with Bms-986205

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

4-Chloro-6-fluoroquinoline391-77-538 % similar Ccg-1423285986-88-132 % similar Cabozantinib849217-68-131 % similar 4,6-Dichloroquinoline4203-18-331 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook