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Chemical ID: 4158243
Chemical ID:
4158243
Name [?]:
N-(2-chlorophenyl)-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-2-12-7-3-6-10-15(12)20-11-16(19)18-14-9-5-4-8-13(14)17/h3-10H,2,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,16,6,4,18,15,7,10,3,19,14,8,11,20,13,12,9/rA:20nCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76848 |
Area: | 492.294 |
Solvation: | -3.53888 |
Coulombic: | -30.5798 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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