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850582-21-7 | Acetamide, N-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-
CAS No: 850582-21-7 Catalog No: AG004PAC MDL No:
Product Description
Catalog Number:
AG004PAC
Chemical Name:
Acetamide, N-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-
CAS Number:
850582-21-7
Molecular Formula:
C17H16ClNO2
Molecular Weight:
301.7674
IUPAC Name:
N-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]acetamide
InChI:
InChI=1S/C17H16ClNO2/c1-12(20)19-16(13-5-3-2-4-6-13)11-17(21)14-7-9-15(18)10-8-14/h2-10,16H,11H2,1H3,(H,19,20)
InChI Key:
ARDQYQHWCPOWOW-UHFFFAOYSA-N
SMILES:
CC(=O)NC(c1ccccc1)CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.77g/mol
Monoisotopic Mass:
301.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| N-(1,3-Diaryl-3-oxopropyl)amides as a new template for xanthine oxidase inhibitors. | Bioorganic & medicinal chemistry 20110915 |
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