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Chemical ID: 7379059
Chemical ID:
7379059
Name [?]:
2-(4-benzoylphenoxy)-N-(2,3-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)COc2ccc(cc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C23H21NO3/c1-16-7-6-10-21(17(16)2)24-22(25)15-27-20-13-11-19(12-14-20)23(26)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,26,4,3,23,27,5,16,18,15,19,12,2,7,22,17,14,6,10,20,9,11,21,13/E:(4,5)(8,9)(11,12)(13,14)/rA:27nCCCCCCCCNCOCOCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO3 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73691 |
Area: | 594.393 |
Solvation: | -5.12291 |
Coulombic: | -38.6893 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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