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332912-45-5 | 4-Bromo-N-(3-methyl-4-propionylamino-phenyl)-benzamide
CAS No: 332912-45-5 Catalog No: AG01F83D MDL No:
Product Description
Catalog Number:
AG01F83D
Chemical Name:
4-Bromo-N-(3-methyl-4-propionylamino-phenyl)-benzamide
CAS Number:
332912-45-5
Molecular Formula:
C17H17BrN2O2
Molecular Weight:
361.2331
IUPAC Name:
4-bromo-N-[3-methyl-4-(propanoylamino)phenyl]benzamide
InChI:
InChI=1S/C17H17BrN2O2/c1-3-16(21)20-15-9-8-14(10-11(15)2)19-17(22)12-4-6-13(18)7-5-12/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChI Key:
TYQYWZLPDQWGAB-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccc(cc1C)NC(=O)c1ccc(cc1)Br
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.239g/mol
Monoisotopic Mass:
360.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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