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Chemical ID: 4230785
Chemical ID:
4230785
Name [?]:
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccccc1OCC(=O)NCc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO3/c1-21-14-4-2-3-5-15(14)22-10-16(20)19-9-11-6-7-12(17)8-13(11)18/h2-8H,9-10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,16,17,19,14,10,15,18,20,3,8,11,22,21,13,12,2,9/rA:22nCOCCCCCCOCCONCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.519 |
Area: | 551.503 |
Solvation: | -6.26857 |
Coulombic: | -36.7707 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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