Chemical ID: 7321590

c1ccc(cc1)CNC(=O)C=Cc2ccc(cc2)C(F)(F)F
Chemical ID:
7321590
Name [?]:
N-benzyl-3-[4-(trifluoromethyl)phenyl]-prop-2-enamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C=Cc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3NO/c18-17(19,20)15-9-6-13(7-10-15)8-11-16(22)21-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,18,12,15,17,11,7,13,4,16,9,19,20,21,22,8,10/E:(2,3)(4,5)(6,7)(9,10)(18,19,20)/rA:22nCCCCCCCNCOCCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3NO
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.86163
Area:505.512
Solvation:-2.77617
Coulombic:-43.356
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:305.294
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.33
LogP (Chemaxon):4.19

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