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Chemical ID: 6413016
Chemical ID:
6413016
Name [?]:
N-(4-chloro-2-methyl-phenyl)-4-hexanoylamino-benzamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C20H23ClN2O2/c1-3-4-5-6-19(24)22-17-10-7-15(8-11-17)20(25)23-18-12-9-16(21)13-14(18)2/h7-13H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,4,5,11,13,20,10,14,19,22,23,12,21,9,18,6,15,25,8,17,7,16/E:(7,8)(10,11)/rA:25nCCCCCCONCCCCCCCONCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3373 |
Area: | 610.38 |
Solvation: | -2.92216 |
Coulombic: | -43.1241 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.862 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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