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Chemical ID: 6943375
Chemical ID:
6943375
Name [?]:
N-(5-chloro-2-methyl-phenyl)-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2cc(ccc2C)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-11-5-7-15(8-13(11)3)21-10-17(20)19-16-9-14(18)6-4-12(16)2/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,8,18,3,17,4,6,15,10,2,19,7,16,5,14,11,21,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05343 |
Area: | 517.783 |
Solvation: | -3.89114 |
Coulombic: | -29.0342 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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