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126497-81-2 | N-Adamantan-2-yl-2-chloro-nicotinamide
CAS No: 126497-81-2 Catalog No: AG01FCLR MDL No:
Product Description
Catalog Number:
AG01FCLR
Chemical Name:
N-Adamantan-2-yl-2-chloro-nicotinamide
CAS Number:
126497-81-2
Molecular Formula:
C16H19ClN2O
Molecular Weight:
290.7879
IUPAC Name:
N-(2-adamantyl)-2-chloropyridine-3-carboxamide
InChI:
InChI=1S/C16H19ClN2O/c17-15-13(2-1-3-18-15)16(20)19-14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2,(H,19,20)
InChI Key:
FKCQLAMCNIKTGZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Cl)NC1C2CC3CC1CC(C2)C3
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.791g/mol
Monoisotopic Mass:
290.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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