Chemical ID: 4511166

COc1ccc(cc1Cl)NC(=O)C2CCN(CC2)C(=O)c3cccc(c3)Cl
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

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Descriptor Annotations

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