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Chemical ID: 5542906
Chemical ID:
5542906
Name [?]:
N-[3-chloro-4-(1-piperidyl)phenyl]-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Cl)Cl)N3CCCCC3
InChi [?]:
InChI=1/C19H19Cl3N2O2/c20-13-4-7-18(16(22)10-13)26-12-19(25)23-14-5-6-17(15(21)11-14)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:24,23,25,14,1,2,13,22,26,16,5,10,15,6,4,17,3,12,8,19,20,18,7,21,9,11/E:(2,3)(8,9)/rA:26nCCCCCCNCOCOCCCCCCClClClNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s4;s3;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19Cl3N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5433 |
Area: | 623.971 |
Solvation: | -5.05601 |
Coulombic: | -34.9506 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 413.725 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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