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Chemical ID: 4199052
Chemical ID:
4199052
Name [?]:
N-(2-fluoro-5-nitro-phenyl)-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2F)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H19FN2O4/c1-18(2,3)12-4-7-14(8-5-12)25-11-17(22)20-16-10-13(21(23)24)6-9-15(16)19/h4-10H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,19,7,9,20,17,12,5,18,8,21,16,13,2,22,15,23,14,24,25,11/E:(1,2,3)(4,5)(7,8)(23,24)/CRV:21.5/rA:25nCCCCCCCCCCOCCONCCCCCCFN+OO-/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19FN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.26252 |
Area: | 558.479 |
Solvation: | -9.69946 |
Coulombic: | -43.3586 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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