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Chemical ID: 5975955
Chemical ID:
5975955
Name [?]:
5-(3-chlorobenzoyl)amino-2-dimethylamino-N-isobutyl-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C20H24ClN3O2/c1-13(2)12-22-20(26)17-11-16(8-9-18(17)24(3)4)23-19(25)14-6-5-7-15(21)10-14/h5-11,13H,12H2,1-4H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,22,21,23,11,12,25,9,4,2,20,24,10,8,13,18,6,26,5,17,14,19,7/E:(1,2)(3,4)/rA:26nCCCCNCOCCCCCCNCCNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s14;s10;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5043 |
Area: | 614.968 |
Solvation: | -3.86994 |
Coulombic: | -49.7624 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.876 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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