ZINC03557673,T5807819,IUPAC Name: (E)-N-(2-ethylphenyl)-3-(3-fluorophe

[Synonyms]
ZINC03557673
T5807819

[Structure]

[ Properties Computed from Structure]

Molecular Weight	269.313443 [g/mol]
Molecular Formula	C17H16FNO
XLogP	4.1
H-Bond Donor	1
H-Bond Acceptor	2
Rotatable Bond Count	4
Tautomer Count	2
Exact Mass	269.121592
MonoIsotopic Mass	269.121592
Topological Polar Surface Area	29.1
Heavy Atom Count	20
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: (E)-N-(2-ethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
Canonical SMILES: CCC1=CC=CC=C1NC(=O)C=CC2=CC(=CC=C2)F
Isomeric SMILES: CCC1=CC=CC=C1NC(=O)\C=C\C2=CC(=CC=C2)F
InChI: InChI=1/C17H16FNO/c1-2-14-7-3-4-9-16(14)19-17(20)11-10-13-6-5-8-15(18)
12-13/h3-12H,2H2,1H3,(H,19,20)/b11-10+/f/h19H