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Chemical ID: 4156297
Chemical ID:
4156297
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C19H22ClNO3/c1-12(2)16-7-6-15(9-13(16)3)24-11-19(22)21-14-5-8-18(23-4)17(20)10-14/h5-10,12H,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:9,10,1,24,17,5,6,18,3,21,12,8,2,16,4,7,20,19,13,22,15,14,23,11/E:(1,2)/rA:24nCCCCCCCCCCOCCONCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95218 |
Area: | 576.577 |
Solvation: | -5.46225 |
Coulombic: | -35.9832 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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