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139262-00-3 | Benzamide, N-(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-
CAS No: 139262-00-3 Catalog No: AG001ALN MDL No:
Product Description
Catalog Number:
AG001ALN
Chemical Name:
Benzamide, N-(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-
CAS Number:
139262-00-3
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
InChI:
InChI=1S/C16H12N2O3/c1-18-15(20)11-8-5-9-12(13(11)16(18)21)17-14(19)10-6-3-2-4-7-10/h2-9H,1H3,(H,17,19)
InChI Key:
OPZSCANNOLMGRT-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1=O)c(ccc2)NC(=O)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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