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Chemical ID: 5891854
Chemical ID:
5891854
Name [?]:
2,4-dichloro-N-[4-(1-piperidyl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)N3CCCC3)N4CCCCC4
InChi [?]:
InChI=1/C23H25Cl2N3O2/c24-16-6-8-18(20(25)14-16)22(29)26-17-7-9-21(27-10-2-1-3-11-27)19(15-17)23(30)28-12-4-5-13-28/h6-9,14-15H,1-5,10-13H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:28,27,29,22,23,12,1,11,2,26,30,21,24,14,5,13,6,10,4,15,3,8,18,17,16,7,25,20,9,19/E:(2,3)(4,5)(10,11)(12,13)/rA:30nCCCCCCNCOCCCCCCClClCONCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s4;d18;s18;s20;s21;s22;s20s23;s3;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25Cl2N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1543 |
Area: | 652.294 |
Solvation: | -4.15305 |
Coulombic: | -44.3448 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 446.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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