Chemical ID: 4351640

c1cc(cc(c1)C(F)(F)F)C=CC(=O)Nc2cccc(c2)Cl
Chemical ID:
4351640
Name [?]:
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-prop-2-enamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C=CC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H11ClF3NO/c17-13-5-2-6-14(10-13)21-15(22)8-7-11-3-1-4-12(9-11)16(18,19)20/h1-10H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,19,17,11,12,4,21,3,5,20,16,13,7,22,8,9,10,15,14/E:(18,19,20)/rA:22nCCCCCCCFFFCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;w11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClF3NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.465
Area:488.231
Solvation:-2.74079
Coulombic:-41.8864
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:325.713
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):5.09

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