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1258294-34-6 | 2-chloro-4-cyano-6-fluoro-N-(2-((1R,2R)-2-fluorocyclopropanecarboxamido)pyridin-4-yl)benzamide
CAS No: 1258294-34-6 Catalog No: AG01FGAJ MDL No:
Product Description
Catalog Number:
AG01FGAJ
Chemical Name:
2-chloro-4-cyano-6-fluoro-N-(2-((1R,2R)-2-fluorocyclopropanecarboxamido)pyridin-4-yl)benzamide
CAS Number:
1258294-34-6
Molecular Formula:
C17H11ClF2N4O2
Molecular Weight:
376.7446
IUPAC Name:
2-chloro-4-cyano-6-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]pyridin-4-yl]benzamide
InChI:
InChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m0/s1
InChI Key:
NKALKXMQBFLGQI-CMPLNLGQSA-N
SMILES:
N#Cc1cc(F)c(c(c1)Cl)C(=O)Nc1ccnc(c1)NC(=O)[C@H]1C[C@H]1F
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
376.054g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.748g/mol
Monoisotopic Mass:
376.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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