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Chemical ID: 6882805
Chemical ID:
6882805
Name [?]:
4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-N-(2,3-dimethylphenyl)-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C
InChi [?]:
InChI=1/C24H23ClN2O3/c1-15-5-4-6-22(17(15)3)27-24(29)18-8-11-20(12-9-18)30-14-23(28)26-19-10-7-16(2)21(25)13-19/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,8,4,3,5,25,13,17,24,14,16,28,19,2,26,7,12,23,15,27,6,20,10,29,22,9,21,11,18/E:(8,9)(11,12)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;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: | C24H23ClN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5413 |
Area: | 668.63 |
Solvation: | -5.17447 |
Coulombic: | -50.42 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 422.904 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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