Chemical ID: 3638131

COc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)Cl)C=O
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

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