Chemical ID: 4452585

CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)C)Cl
Chemical ID:
4452585
Name [?]:
N-(4-acetamidophenyl)-3,5-dichloro-4-ethoxy-benzamide
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)C)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O3/c1-3-24-16-14(18)8-11(9-15(16)19)17(23)21-13-6-4-12(5-7-13)20-10(2)22/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,16,18,15,19,6,8,21,7,17,14,5,9,4,11,24,10,20,13,22,12,3/E:(4,5)(6,7)(8,9)(14,15)(18,19)/rA:24nCCOCCCCCCClCONCCCCCCNCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16Cl2N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.96383
Area:575.182
Solvation:-4.41571
Coulombic:-47.9666
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.226
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.41
LogP (Chemaxon):3.55

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