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188543-96-6 | Benzamide, 2-[[(2E)-3-(3-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]-
CAS No: 188543-96-6 Catalog No: AG002GYX MDL No:
Product Description
Catalog Number:
AG002GYX
Chemical Name:
Benzamide, 2-[[(2E)-3-(3-ethoxyphenyl)-1-oxo-2-propen-1-yl]amino]-
CAS Number:
188543-96-6
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
2-[3-(3-ethoxyphenyl)prop-2-enoylamino]benzamide
InChI:
InChI=1S/C18H18N2O3/c1-2-23-14-7-5-6-13(12-14)10-11-17(21)20-16-9-4-3-8-15(16)18(19)22/h3-12H,2H2,1H3,(H2,19,22)(H,20,21)
InChI Key:
RZPVKBIDRMBYMR-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)/C=C/C(=O)Nc1ccccc1C(=O)N
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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