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Chemical ID: 4152328
Chemical ID:
4152328
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(c(c2)C)C(C)C
InChi [?]:
InChI=1/C19H22ClNO2/c1-12(2)17-8-7-16(9-14(17)4)23-11-19(22)21-15-6-5-13(3)18(20)10-15/h5-10,12H,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,20,3,4,15,16,19,6,12,21,2,18,5,14,17,7,10,8,9,11,13/E:(1,2)/rA:23nCCCCCCCClNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1359 |
Area: | 558.812 |
Solvation: | -3.83443 |
Coulombic: | -29.711 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.36 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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