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Chemical ID: 4143335
Chemical ID:
4143335
Name [?]:
N-(4-chlorophenyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)20-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,6,9,18,20,17,21,12,19,16,5,10,13,2,22,15,14,11/E:(1,2,3)(8,9)(10,11)/rA:22nCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42859 |
Area: | 523.404 |
Solvation: | -3.65651 |
Coulombic: | -30.3564 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.81 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.9 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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