Chemical ID: 4152329

Cc1ccc(cc1NC(=O)COc2ccc(c(c2)C)C(C)C)Cl
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

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Descriptor Annotations

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