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Chemical ID: 4084550
Chemical ID:
4084550
Name [?]:
2-(4-methoxyphenoxy)-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccc(cc2)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O5/c1-11-3-4-12(18(20)21)9-15(11)17-16(19)10-23-14-7-5-13(22-2)6-8-14/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,3,4,15,17,14,18,6,11,2,5,16,13,7,9,8,21,10,22,23,19,12/E:(5,6)(7,8)(20,21)/CRV:18.5/rA:23nCCCCCCCNCOCOCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s5;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.07837 |
Area: | 524.999 |
Solvation: | -11.0466 |
Coulombic: | -45.5163 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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