Chemical ID: 4363387

Cc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)N3CCOCC3)Cl
Chemical ID:
4363387
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(3-chloro-4-morpholino-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)N3CCOCC3)Cl
InChi [?]:
InChI=1/C19H20Cl2N2O3/c1-13-10-14(20)2-5-18(13)26-12-19(24)22-15-3-4-17(16(21)11-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,14,15,6,21,25,22,24,3,18,9,2,4,13,17,16,7,10,26,19,12,20,11,23,8/E:(6,7)(8,9)/rA:26nCCCCCCCOCCONCCCCCCClNCCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s21;s22;s23;s20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20Cl2N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.41254
Area:610.298
Solvation:-5.84492
Coulombic:-42.9121
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.279
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):4.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue