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Chemical ID: 3638131
Chemical ID:
3638131
Name [?]:
N-(3,4-dichlorophenyl)-2-(4-formyl-2-methoxy-phenoxy)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)Cl)C=O
InChi [?]:
InChI=1/C16H13Cl2NO4/c1-22-15-6-10(8-20)2-5-14(15)23-9-16(21)19-11-3-4-12(17)13(18)7-11/h2-8H,9H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,15,16,7,4,19,22,10,5,14,17,18,8,3,11,21,20,13,23,12,2,9/rA:23nCOCCCCCCOCCONCCCCCCClClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s5;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.09612 |
Area: | 559.061 |
Solvation: | -7.88041 |
Coulombic: | -40.9439 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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