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Chemical ID: 7252482
Chemical ID:
7252482
Name [?]:
N-[(3-chlorophenyl)methyl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-12-5-7-15(8-6-12)20-11-16(19)18-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,7,4,6,19,13,9,2,14,18,5,10,20,12,11,8/E:(5,6)(7,8)/rA:20nCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90321 |
Area: | 510.853 |
Solvation: | -3.86812 |
Coulombic: | -30.6988 |
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: | 3.88 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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