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Chemical ID: 4152329
Chemical ID:
4152329
Name [?]:
N-(5-chloro-2-methyl-phenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccc(c(c2)C)C(C)C)Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-12(2)17-8-7-16(9-14(17)4)23-11-19(22)21-18-10-15(20)6-5-13(18)3/h5-10,12H,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:21,22,1,19,3,4,14,15,18,6,11,20,2,17,5,13,16,7,9,23,8,10,12/E:(1,2)/rA:23nCCCCCCCNCOCOCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.071 |
Area: | 557.646 |
Solvation: | -3.87016 |
Coulombic: | -29.7056 |
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): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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