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Home > Fluorides > 1377961-80-2
1377961-80-2 | Benzenepropanamide, 4-fluoro-N-[4-(4-pyridinylmethyl)phenyl]-
CAS No: 1377961-80-2 Catalog No: AG0013UH MDL No:MFCD22439065
Product Description
Catalog Number:
AG0013UH
Chemical Name:
Benzenepropanamide, 4-fluoro-N-[4-(4-pyridinylmethyl)phenyl]-
CAS Number:
1377961-80-2
Molecular Formula:
C21H19FN2O
Molecular Weight:
334.3868
MDL Number:
MFCD22439065
IUPAC Name:
3-(4-fluorophenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
InChI:
InChI=1S/C21H19FN2O/c22-19-6-1-16(2-7-19)5-10-21(25)24-20-8-3-17(4-9-20)15-18-11-13-23-14-12-18/h1-4,6-9,11-14H,5,10,15H2,(H,24,25)
InChI Key:
JKPSZHYBZIZCNE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cc1ccncc1)CCc1ccc(cc1)F
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.394g/mol
Monoisotopic Mass:
334.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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