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Chemical ID: 5623423
Chemical ID:
5623423
Name [?]:
N-(4-butylphenyl)-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-2-3-4-13-5-8-15(9-6-13)21-18(22)12-23-17-10-7-14(19)11-16(17)20/h5-11H,2-4,12H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,18,7,9,17,20,14,5,19,8,21,16,12,23,22,11,13,15/E:(5,6)(8,9)/rA:23nCCCCCCCCCCNCOCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3977 |
Area: | 587.54 |
Solvation: | -4.29076 |
Coulombic: | -29.9141 |
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: | 5.96 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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