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Chemical ID: 5441359
Chemical ID:
5441359
Name [?]:
N,5-bis[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1c2ccc(o2)C(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H9Cl2F6NO2/c20-13-3-1-9(7-11(13)18(22,23)24)15-5-6-16(30-15)17(29)28-10-2-4-14(21)12(8-10)19(25,26)27/h1-8H,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,16,2,17,8,9,5,20,6,15,4,19,3,18,7,10,12,26,21,30,25,27,28,29,22,23,24,14,13,11/E:(22,23,24)(25,26,27)/rA:30nCCCCCCCCCCOCONCCCCCCCFFFClCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s18;s4;s26;s26;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H9Cl2F6NO2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3175 |
Area: | 606.481 |
Solvation: | -3.84458 |
Coulombic: | -68.0004 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 468.176 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.74 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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