Chemical ID: 5568638

Cc1ccc(c(c1)OCC(=O)Nc2c(cc(cc2Cl)C)C)C
Chemical ID:
5568638
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2c(cc(cc2Cl)C)C)C
InChi [?]:
InChI=1/C18H20ClNO2/c1-11-5-6-13(3)16(9-11)22-10-17(21)20-18-14(4)7-12(2)8-15(18)19/h5-9H,10H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,22,21,3,4,15,17,7,9,2,16,5,14,18,6,10,13,19,12,11,8/rA:22nCCCCCCCOCCONCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.35445
Area:532.308
Solvation:-3.95325
Coulombic:-29.175
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.62
LogP (Chemaxon):3.96

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Descriptor Annotations

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