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Chemical ID: 4085833
Chemical ID:
4085833
Name [?]:
4-(2,4-dichlorophenoxy)-N-(2,4-dimethylphenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CCCOc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-12-5-7-16(13(2)10-12)21-18(22)4-3-9-23-17-8-6-14(19)11-15(17)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,13,12,3,18,4,17,14,7,20,2,6,19,21,5,16,10,23,22,9,11,15/rA:23nCCCCCCCCNCOCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;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: | 10.7176 |
Area: | 584.095 |
Solvation: | -3.88473 |
Coulombic: | -28.3468 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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