Chemical ID: 6141151

c1ccc(cc1)NC(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)C#N
Chemical ID:
6141151
Name [?]:
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-phenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)NC(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)C#N
InChi [?]:
InChI=1/C21H12ClF3N2O2/c22-18-8-6-14(21(23,24)25)11-17(18)19-9-7-16(29-19)10-13(12-26)20(28)27-15-4-2-1-3-5-15/h1-11H,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,13,21,14,11,18,28,10,19,4,12,17,22,15,8,24,23,25,26,27,29,7,9,16/E:(2,3)(4,5)(23,24,25)/rA:29nCCCCCCNCOCCCCCCOCCCCCCClCFFFCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;s24;s10;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H12ClF3N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.80714
Area:560.75
Solvation:-4.21161
Coulombic:-51.4487
Bond Count [?]
All:31
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:416.78
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.12
LogP (Chemaxon):5.34

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