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Chemical ID: 6882806
Chemical ID:
6882806
Name [?]:
4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C
InChi [?]:
InChI=1/C24H23ClN2O3/c1-3-17-6-4-5-7-22(17)27-24(29)18-9-12-20(13-10-18)30-15-23(28)26-19-11-8-16(2)21(25)14-19/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,5,6,4,7,25,13,17,24,14,16,28,19,26,3,12,23,15,27,8,20,10,29,22,9,21,11,18/E:(9,10)(12,13)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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: | 11.6192 |
Area: | 668.851 |
Solvation: | -5.10204 |
Coulombic: | -51.0381 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.904 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.13 |
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.
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