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Chemical ID: 4147565
Chemical ID:
4147565
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C17H18ClNO2/c1-11-5-7-15(8-13(11)3)21-10-17(20)19-14-6-4-12(2)16(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,8,16,3,15,4,6,19,10,2,17,7,14,5,18,11,20,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99141 |
Area: | 516.864 |
Solvation: | -3.93018 |
Coulombic: | -28.98 |
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): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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