Chemical ID: 4408894

c1cc(c(cc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl)Cl)F
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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