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Chemical ID: 4462711
Chemical ID:
4462711
Name [?]:
3,4-dichloro-N-[2-(1-piperidylcarbonyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H18Cl2N2O2/c20-15-9-8-13(12-16(15)21)18(24)22-17-7-3-2-6-14(17)19(25)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:12,1,2,11,13,6,3,19,20,10,14,23,18,5,21,22,4,16,7,25,24,15,9,17,8/E:(4,5)(10,11)/rA:25nCCCCCCCONCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18Cl2N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6907 |
Area: | 569.214 |
Solvation: | -2.53963 |
Coulombic: | -40.9084 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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