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Chemical ID: 4144575
Chemical ID:
4144575
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-13(17)3-2-4-14(10)18-15(19)9-20-12-7-5-11(16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,18,15,19,12,2,17,14,7,3,10,20,8,9,11,13/E:(5,6)(7,8)/rA:20nCCCCCCCClNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74696 |
Area: | 504.232 |
Solvation: | -3.85883 |
Coulombic: | -29.5284 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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