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879682-42-5 | 3-Butenamide, N-(2-iodophenyl)-N-(phenylmethyl)-
CAS No: 879682-42-5 Catalog No: AG004D29 MDL No:
Product Description
Catalog Number:
AG004D29
Chemical Name:
3-Butenamide, N-(2-iodophenyl)-N-(phenylmethyl)-
CAS Number:
879682-42-5
Molecular Formula:
C17H16INO
Molecular Weight:
377.2195
IUPAC Name:
N-benzyl-N-(2-iodophenyl)but-3-enamide
InChI:
InChI=1S/C17H16INO/c1-2-8-17(20)19(13-14-9-4-3-5-10-14)16-12-7-6-11-15(16)18/h2-7,9-12H,1,8,13H2
InChI Key:
AZQACBGFORFWEW-UHFFFAOYSA-N
SMILES:
C=CCC(=O)N(c1ccccc1I)Cc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.225g/mol
Monoisotopic Mass:
377.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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