N-Cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-(O-tolyl)acetamide

C₂₇H₃₁FN₄O₂CAS 1355326-35-0462.57 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₂₇H₃₁FN₄O₂
Molar mass: 462.57 g/mol
Exact mass: 462.2431 Da
logP: 4.86Crippen estimate
Polar surface area: 67.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

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

1355326-35-0

SMILES

CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C

InChIKey

FNYGWXSATBUBER-UHFFFAOYSA-N

InChI

InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)

Weigh it out

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

Work with N-Cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-(O-tolyl)acetamide

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook