Chemical ID: 4152328

Cc1ccc(cc1Cl)NC(=O)COc2ccc(c(c2)C)C(C)C
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

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