Chemical ID: 6544711

Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cl)C(C)(C)C
Chemical ID:
6544711
Name [?]:
N-(4-chlorophenyl)-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cl)C(C)(C)C
InChi [?]:
InChI=1/C19H22ClNO2/c1-13-11-14(19(2,3)4)5-10-17(13)23-12-18(22)21-16-8-6-15(20)7-9-16/h5-11H,12H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,5,15,17,14,18,6,3,9,2,4,16,13,7,10,20,19,12,11,8/E:(2,3,4)(6,7)(8,9)/rA:23nCCCCCCCOCCONCCCCCCClCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClNO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1191
Area:558.444
Solvation:-3.84203
Coulombic:-30.0717
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:5.34
LogP (Chemaxon):5.49

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Descriptor Annotations

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