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Chemical ID: 5891782
Chemical ID:
5891782
Name [?]:
5-(2-chlorobenzoyl)amino-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C23H28ClN3O2/c1-3-16(2)25-23(29)19-15-17(11-12-21(19)27-13-7-4-8-14-27)26-22(28)18-9-5-6-10-20(18)24/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,4,2,17,25,26,16,18,24,27,11,12,15,19,9,3,10,23,8,28,13,21,6,29,5,20,14,22,7/E:(7,8)(13,14)/rA:29cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28ClN3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1557 |
Area: | 643.589 |
Solvation: | -3.93405 |
Coulombic: | -49.5656 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 413.94 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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