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Chemical ID: 4408894
Chemical ID:
4408894
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl)Cl)F
InChi [?]:
InChI=1/C14H8Cl4FNO2/c15-8-4-11(18)13(5-9(8)16)22-6-14(21)20-7-1-2-12(19)10(17)3-7/h1-5H,6H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,5,16,13,10,6,15,14,4,17,3,12,8,19,20,21,18,22,7,9,11/rA:22nCCCCCCNCOCOCCCCCCClClClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Cl4FNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63776 |
Area: | 556.15 |
Solvation: | -5.26599 |
Coulombic: | -31.6463 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 383.028 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.32 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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