Chemical ID: 6466787

CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)C)Cl
Chemical ID:
6466787
Name [?]:
N-(4-acetylphenyl)-3,5-dichloro-4-ethoxy-benzamide
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)C)Cl
InChi [?]:
InChI=1/C17H15Cl2NO3/c1-3-23-16-14(18)8-12(9-15(16)19)17(22)20-13-6-4-11(5-7-13)10(2)21/h4-9H,3H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,16,18,15,19,6,8,20,17,7,14,5,9,4,11,23,10,13,21,12,3/E:(4,5)(6,7)(8,9)(14,15)(18,19)/rA:23nCCOCCCCCCClCONCCCCCCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.80067
Area:557.339
Solvation:-4.13279
Coulombic:-36.9184
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.211
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):3.54

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