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Chemical ID: 7027488
Chemical ID:
7027488
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H10ClF6NO2/c20-13-5-4-12(19(24,25)26)9-14(13)27-17(28)16-7-6-15(29-16)10-2-1-3-11(8-10)18(21,22)23/h1-9H,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,12,13,4,20,3,5,21,24,19,11,14,16,7,26,25,8,9,10,27,28,29,18,17,15/E:(21,22,23)(24,25,26)/rA:29nCCCCCCCFFFCCCCOCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H10ClF6NO2 |
All Atoms: | 39 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.095 |
Area: | 585.914 |
Solvation: | -3.5528 |
Coulombic: | -69.6913 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 433.731 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.12 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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