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89246-38-8 | Benzeneacetamide, N-(4-cyanophenyl)-
CAS No: 89246-38-8 Catalog No: AG0043V7 MDL No:
Product Description
Catalog Number:
AG0043V7
Chemical Name:
Benzeneacetamide, N-(4-cyanophenyl)-
CAS Number:
89246-38-8
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
IUPAC Name:
N-(4-cyanophenyl)-2-phenylacetamide
InChI:
InChI=1S/C15H12N2O/c16-11-13-6-8-14(9-7-13)17-15(18)10-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)
InChI Key:
JNHXEOULFHSWMY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=O)Cc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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