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Chemical ID: 4511166
Chemical ID:
4511166
Name [?]:
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxy-phenyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)C2CCN(CC2)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C20H20Cl2N2O3/c1-27-18-6-5-16(12-17(18)22)23-19(25)13-7-9-24(10-8-13)20(26)14-3-2-4-15(21)11-14/h2-6,11-13H,7-10H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,5,4,14,18,15,17,26,7,13,21,25,6,8,3,11,19,27,9,10,16,12,20,2/E:(7,8)(9,10)/rA:27nCOCCCCCCClNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20Cl2N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9958 |
Area: | 617.636 |
Solvation: | -4.44507 |
Coulombic: | -45.6795 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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