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Chemical ID: 4161137
Chemical ID:
4161137
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(2-ethylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCc1ccccc1NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C24H23ClN2O3/c1-3-17-7-4-5-9-22(17)26-23(28)15-30-19-13-11-18(12-14-19)24(29)27-21-10-6-8-20(25)16(21)2/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,2,5,6,25,4,26,7,24,16,18,15,19,12,28,3,17,14,27,23,8,10,20,30,9,22,11,21,13/E:(11,12)(13,14)/rA:30nCCCCCCCCNCOCOCCCCCCCONCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.67 |
Area: | 667.326 |
Solvation: | -5.01314 |
Coulombic: | -51.2348 |
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): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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