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Chemical ID: 4160439
Chemical ID:
4160439
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-(2,4-dimethylphenoxy)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-13-9-10-18(14(2)12-13)23-11-5-8-19(22)21-17-7-4-6-16(20)15(17)3/h4,6-7,9-10,12H,5,8,11H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,22,18,11,19,17,12,3,4,10,7,2,6,21,20,16,5,13,23,15,14,9/rA:23nCCCCCCCCOCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6906 |
Area: | 566.502 |
Solvation: | -3.47195 |
Coulombic: | -28.6258 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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