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Chemical ID: 4507943
Chemical ID:
4507943
Name [?]:
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-3-8-16(13(2)9-12)21-11-17(20)19-10-14-4-6-15(18)7-5-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,3,16,20,17,19,4,7,14,10,2,6,15,18,5,11,21,13,12,9/E:(4,5)(6,7)/rA:21nCCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55196 |
Area: | 533.41 |
Solvation: | -3.78328 |
Coulombic: | -30.6329 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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