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Chemical ID: 5568638
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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