Chemical ID: 6141162

c1cc(ccc1NC(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)C#N)F
Chemical ID:
6141162
Name [?]:
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-cyano-N-(4-fluorophenyl)-prop-2-enamide
SMILES [?]:
c1cc(ccc1NC(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)C(F)(F)F)C#N)F
InChi [?]:
InChI=1/C21H11ClF4N2O2/c22-18-7-1-13(21(24,25)26)10-17(18)19-8-6-16(30-19)9-12(11-27)20(29)28-15-4-2-14(23)3-5-15/h1-10H,(H,28,29)
InChi Info:
AuxInfo=1/1/N:20,2,4,1,5,13,21,14,11,18,28,10,19,3,6,12,17,22,15,8,24,23,30,25,26,27,29,7,9,16/E:(2,3)(4,5)(24,25,26)/rA:30nCCCCCCNCOCCCCCCOCCCCCCClCFFFCNF/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:C21H11ClF4N2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.09636
Area:565.532
Solvation:-5.04194
Coulombic:-54.2964
Bond Count [?]
All:32
Single:21
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:434.771
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.28
LogP (Chemaxon):5.48

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Descriptor Annotations

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