Chemical ID: 7491738

COc1ccc(cc1Cl)NC(=O)C2CCC(CC2)C(=O)Nc3ccc(c(c3)Cl)OC
Chemical ID:
7491738
Name [?]:
N,N'-bis(3-chloro-4-methoxy-phenyl)cyclohexane-1,4-dicarboxamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)C2CCC(CC2)C(=O)Nc3ccc(c(c3)Cl)OC
InChi [?]:
InChI=1/C22H24Cl2N2O4/c1-29-19-9-7-15(11-17(19)23)25-21(27)13-3-5-14(6-4-13)22(28)26-16-8-10-20(30-2)18(24)12-16/h7-14H,3-6H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,14,18,15,17,5,23,4,24,7,27,13,16,6,22,8,26,3,25,11,19,9,28,10,21,12,20,2,29/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCOCCCCCCClNCOCCCCCCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24Cl2N2O4
All Atoms:54
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.8393
Area:677.652
Solvation:-6.10203
Coulombic:-54.9664
Bond Count [?]
All:32
Single:24
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.342
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.04
LogP (Chemaxon):4.65

Name Annotations

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Descriptor Annotations

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