Chemical ID: 4155111

Cc1cccc(c1)OCCCC(=O)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
4155111
Name [?]:
N-(3,4-dichlorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-12-4-2-5-14(10-12)22-9-3-6-17(21)20-13-7-8-15(18)16(19)11-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,10,3,5,11,16,17,9,7,20,2,15,6,18,19,12,22,21,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17Cl2NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2532
Area:557.804
Solvation:-3.69185
Coulombic:-28.6202
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.228
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):4.81

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