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Chemical ID: 4146201
Chemical ID:
4146201
Name [?]:
N-(4-chlorophenyl)-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C16H16ClNO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,15,17,14,18,3,7,5,9,2,4,16,13,6,10,19,12,11,8/E:(1,2)(3,4)(5,6)(8,9)(11,12)/rA:20nCCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65084 |
Area: | 501.978 |
Solvation: | -3.89862 |
Coulombic: | -29.1079 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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