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Chemical ID: 5425345
Chemical ID:
5425345
Name [?]:
N-(2,5-dichlorophenyl)-5-[2-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3cc(ccc3Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C18H10Cl2F3NO2/c19-10-5-6-13(20)14(9-10)24-17(25)16-8-7-15(26-16)11-3-1-2-4-12(11)18(21,22)23/h1-9H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,8,9,16,17,5,4,20,15,7,10,12,23,22,21,24,25,26,14,13,11/E:(21,22,23)/rA:26nCCCCCCCCCCOCONCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H10Cl2F3NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8329 |
Area: | 548.941 |
Solvation: | -2.89065 |
Coulombic: | -51.4721 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.178 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.81 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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