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Chemical ID: 6884259
Chemical ID:
6884259
Name [?]:
4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-(2-methoxy-5-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl)OC
InChi [?]:
InChI=1/C23H20Cl2N2O4/c1-14-3-10-21(30-2)20(11-14)27-23(29)15-4-7-17(8-5-15)31-13-22(28)26-16-6-9-18(24)19(25)12-16/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,3,12,16,23,13,15,24,4,7,27,18,2,11,22,14,25,26,6,5,19,9,29,28,21,8,20,10,30,17/E:(4,5)(7,8)/rA:31nCCCCCCCNCOCCCCCCOCCONCCCCCCClClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s5;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.331 |
Area: | 697.46 |
Solvation: | -6.10549 |
Coulombic: | -58.0845 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 459.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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