Chemical ID: 4199052

CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2F)[N+](=O)[O-]
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

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