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Chemical ID: 5699716
Chemical ID:
5699716
Name [?]:
2-(2,5-dichlorophenoxy)-N-(2,5-difluorophenyl)-acetamide
SMILES [?]:
c1cc(c(cc1F)NC(=O)COc2cc(ccc2Cl)Cl)F
InChi [?]:
InChI=1/C14H9Cl2F2NO2/c15-8-1-3-10(16)13(5-8)21-7-14(20)19-12-6-9(17)2-4-11(12)18/h1-6H,7H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:16,1,17,2,14,5,11,15,6,18,3,4,13,9,20,19,7,21,8,10,12/rA:21nCCCCCCFNCOCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl2F2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05014 |
Area: | 501.708 |
Solvation: | -5.49257 |
Coulombic: | -35.6382 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.129 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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