Chemical ID: 6544588

Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2C)C(C)(C)C
Chemical ID:
6544588
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2C)C(C)(C)C
InChi [?]:
InChI=1/C20H24ClNO2/c1-13-6-8-16(11-17(13)21)22-19(23)12-24-18-9-7-15(10-14(18)2)20(3,4)5/h6-11H,12H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,22,23,24,3,16,4,15,18,6,12,2,19,17,5,7,14,10,21,8,9,11,13/E:(3,4,5)/rA:24nCCCCCCCClNCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClNO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6427
Area:576.091
Solvation:-3.75953
Coulombic:-30.0654
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.863
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.57
LogP (Chemaxon):5.96

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