3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 27
Total Number of Articles : 40
PubChem 71587865
Molecular Formula

C23H25ClN2O

SMILES

C1[C@H]2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)/t17-,18?,22?,23?/m0/s1

synonyms
  • UNII-DRG21OQ517
  • DRG21OQ517
  • 4-pyridinylmethyl-3-(4-chlorophenyl) adamantane carboxamide
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Properties
Property Value
MW 380.9 g/mol
HBD 1
HBA 2
Rotatable Bond Count 4
Exact Mass 380.1655411 g/mol
Monoisotopic Mass 380.1655411 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 551
xlogp 4.7
Topological Polar Surface Area 42