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124323-49-5 | 1-Naphthalenecarboxamide, N-(2-amino-2-oxoethyl)-2-fluoro-6-methoxy-N-methyl-5-(trifluoromethyl)-
CAS No: 124323-49-5 Catalog No: AG000LUI MDL No:
Product Description
Catalog Number:
AG000LUI
Chemical Name:
1-Naphthalenecarboxamide, N-(2-amino-2-oxoethyl)-2-fluoro-6-methoxy-N-methyl-5-(trifluoromethyl)-
CAS Number:
124323-49-5
Molecular Formula:
C16H14F4N2O3
Molecular Weight:
358.2876
IUPAC Name:
N-(2-amino-2-oxoethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxamide
InChI:
InChI=1S/C15H12F4N2O3/c1-24-10-5-3-7-8(13(10)15(17,18)19)2-4-9(16)12(7)14(23)21-6-11(20)22/h2-5H,6H2,1H3,(H2,20,22)(H,21,23)
InChI Key:
ITVYLTXUYASIIA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(F)(F)F)ccc(c2C(=O)N(CC(=O)N)C)F
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.266g/mol
Monoisotopic Mass:
344.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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