Chemical ID: 4213569

CC(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2F)[N+](=O)[O-]
Chemical ID:
4213569
Name [?]:
N-(2-fluoro-5-nitro-phenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2F)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17FN2O4/c1-11(2)12-3-6-14(7-4-12)24-10-17(21)19-16-9-13(20(22)23)5-8-15(16)18/h3-9,11H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,18,6,8,19,16,11,2,4,17,7,20,15,12,21,14,22,13,23,24,10/E:(1,2)(3,4)(6,7)(22,23)/CRV:20.5/rA:24nCCCCCCCCCOCCONCCCCCCFN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17FN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.81191
Area:541.631
Solvation:-9.72887
Coulombic:-43.1265
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.326
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.01
LogP (Chemaxon):3.51

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Descriptor Annotations

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