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87898-96-2 | Pentanamide, 2-bromo-4,4-dimethyl-3-oxo-N,N-bis(phenylmethyl)-
CAS No: 87898-96-2 Catalog No: AG004IJ1 MDL No:
Product Description
Catalog Number:
AG004IJ1
Chemical Name:
Pentanamide, 2-bromo-4,4-dimethyl-3-oxo-N,N-bis(phenylmethyl)-
CAS Number:
87898-96-2
Molecular Formula:
C21H24BrNO2
Molecular Weight:
402.3248
IUPAC Name:
N,N-dibenzyl-2-bromo-4,4-dimethyl-3-oxopentanamide
InChI:
InChI=1S/C21H24BrNO2/c1-21(2,3)19(24)18(22)20(25)23(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChI Key:
CSCIJLCNFKXKOD-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C(C)(C)C)C(=O)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.332g/mol
Monoisotopic Mass:
401.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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