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80818-98-0 | Benzeneacetamide, N-(4-pyridinylmethyl)-
CAS No: 80818-98-0 Catalog No: AG00517C MDL No:
Product Description
Catalog Number:
AG00517C
Chemical Name:
Benzeneacetamide, N-(4-pyridinylmethyl)-
CAS Number:
80818-98-0
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
2-phenyl-N-(pyridin-4-ylmethyl)acetamide
InChI:
InChI=1S/C14H14N2O/c17-14(10-12-4-2-1-3-5-12)16-11-13-6-8-15-9-7-13/h1-9H,10-11H2,(H,16,17)
InChI Key:
SHCXGJHICMETQC-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)NCc1ccncc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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