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Home > Other Heterocycles > 85675-21-4
85675-21-4 | 2-Azaspiro[5.5]undec-8-ene-2-carboxamide, N-(3-chlorophenyl)-
CAS No: 85675-21-4 Catalog No: AG004Q61 MDL No:
Product Description
Catalog Number:
AG004Q61
Chemical Name:
2-Azaspiro[5.5]undec-8-ene-2-carboxamide, N-(3-chlorophenyl)-
CAS Number:
85675-21-4
Molecular Formula:
C17H21ClN2O
Molecular Weight:
304.8144
IUPAC Name:
N-(3-chlorophenyl)-2-azaspiro[5.5]undec-9-ene-2-carboxamide
InChI:
InChI=1S/C17H21ClN2O/c18-14-6-4-7-15(12-14)19-16(21)20-11-5-10-17(13-20)8-2-1-3-9-17/h1-2,4,6-7,12H,3,5,8-11,13H2,(H,19,21)
InChI Key:
LIGAHLIUHOJQRR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NC(=O)N1CCCC2(C1)CCC=CC2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.818g/mol
Monoisotopic Mass:
304.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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