Chemical ID: 6141157

c1cc(ccc1NC(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)C#N)Cl
Chemical ID:
6141157
Name [?]:
N-(4-chlorophenyl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-prop-2-enamide
SMILES [?]:
c1cc(ccc1NC(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)C#N)Cl
InChi [?]:
InChI=1/C21H11Cl2F3N2O2/c22-14-2-4-15(5-3-14)28-20(29)12(11-27)9-16-6-8-19(30-16)17-10-13(21(24,25)26)1-7-18(17)23/h1-10H,(H,28,29)
InChi Info:
AuxInfo=1/1/N:20,2,4,1,5,13,21,14,11,18,28,10,19,3,6,12,17,22,15,8,24,30,23,25,26,27,29,7,9,16/E:(2,3)(4,5)(24,25,26)/rA:30nCCCCCCNCOCCCCCCOCCCCCCClCFFFCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;s24;s10;t28;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H11Cl2F3N2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.5315
Area:589.327
Solvation:-4.20172
Coulombic:-51.483
Bond Count [?]
All:32
Single:21
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:451.225
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.74
LogP (Chemaxon):5.86

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Descriptor Annotations

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