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Chemical ID: 6882856
Chemical ID:
6882856
Name [?]:
4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-(2,4-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C23H20Cl2N2O3/c1-14-3-10-21(15(2)11-14)27-23(29)16-4-7-18(8-5-16)30-13-22(28)26-17-6-9-19(24)20(25)12-17/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,8,3,13,17,24,14,16,25,4,7,28,19,2,6,12,23,15,26,27,5,20,10,30,29,22,9,21,11,18/E:(4,5)(7,8)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9236 |
Area: | 685.417 |
Solvation: | -5.21186 |
Coulombic: | -50.4706 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 443.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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