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119952-04-4 | Benzamide, N-bicyclo[2.2.1]hept-2-en-2-yl-2-iodo-N-(phenylmethyl)-
CAS No: 119952-04-4 Catalog No: AG000PW4 MDL No:
Product Description
Catalog Number:
AG000PW4
Chemical Name:
Benzamide, N-bicyclo[2.2.1]hept-2-en-2-yl-2-iodo-N-(phenylmethyl)-
CAS Number:
119952-04-4
Molecular Formula:
C21H20INO
Molecular Weight:
429.2941
IUPAC Name:
N-benzyl-N-(2-bicyclo[2.2.1]hept-2-enyl)-2-iodobenzamide
InChI:
InChI=1S/C21H20INO/c22-19-9-5-4-8-18(19)21(24)23(14-15-6-2-1-3-7-15)20-13-16-10-11-17(20)12-16/h1-9,13,16-17H,10-12,14H2
InChI Key:
XMEWTCOBNPPGOJ-UHFFFAOYSA-N
SMILES:
Ic1ccccc1C(=O)N(C1=CC2CC1CC2)Cc1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.059g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.301g/mol
Monoisotopic Mass:
429.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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