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Chemical ID: 4155138
Chemical ID:
4155138
Name [?]:
N-(3,4-dichlorophenyl)-4-(4-ethylphenoxy)-butanamide
SMILES [?]:
CCc1ccc(cc1)OCCCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-2-13-5-8-15(9-6-13)23-11-3-4-18(22)21-14-7-10-16(19)17(20)12-14/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,4,8,17,5,7,18,10,21,3,16,6,19,20,13,23,22,15,14,9/E:(5,6)(8,9)/rA:23nCCCCCCCCOCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9781 |
Area: | 585.742 |
Solvation: | -3.66551 |
Coulombic: | -28.9359 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.34 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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