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Chemical ID: 4346519
Chemical ID:
4346519
Name [?]:
2-(2-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C15H11F3N2O5/c16-15(17,18)25-11-7-5-10(6-8-11)19-14(21)9-24-13-4-2-1-3-12(13)20(22)23/h1-8H,9H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,11,15,18,5,4,12,22,23,24,25,14,7,13,8,9,10,21/E:(5,6)(7,8)(16,17,18)(22,23)/CRV:20.5/rA:25nCCCCCCN+OO-OCCONCCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11F3N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.459851 |
Area: | 517.54 |
Solvation: | -12.4786 |
Coulombic: | -68.8211 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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