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Chemical ID: 4149712
Chemical ID:
4149712
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl)C
InChi [?]:
InChI=1/C23H20ClNO3/c1-15-7-6-8-16(2)23(15)28-14-21(26)25-20-12-11-18(24)13-19(20)22(27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,24,23,25,4,3,5,22,26,15,14,17,9,2,6,21,16,18,13,10,19,7,27,12,11,20,8/E:(1,2)(4,5)(7,8)(9,10)(15,16)/rA:28nCCCCCCCOCCONCCCCCCCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClNO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3339 |
Area: | 621.574 |
Solvation: | -4.20541 |
Coulombic: | -40.1192 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.863 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.73 |
LogP (Chemaxon): | 6.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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