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Chemical ID: 5976351
Chemical ID:
5976351
Name [?]:
2,4-dichloro-N-[4-dimethylamino-3-[(4-methyl-1-piperidyl)carbonyl]phenyl]-benzamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C22H25Cl2N3O2/c1-14-8-10-27(11-9-14)22(29)18-13-16(5-7-20(18)26(2)3)25-21(28)17-6-4-15(23)12-19(17)24/h4-7,12-14H,8-11H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,17,18,24,13,23,14,3,7,4,6,26,11,2,25,12,22,10,27,15,20,8,29,28,19,16,5,21,9/E:(2,3)(8,9)(10,11)/rA:29nCCCCNCCCOCCCCCCNCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25Cl2N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7891 |
Area: | 645.125 |
Solvation: | -4.33902 |
Coulombic: | -44.6296 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 434.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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