Chemical ID: 5542906

c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Cl)Cl)N3CCCCC3
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

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Descriptor Annotations

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