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Chemical ID: 7477259
Chemical ID:
7477259
Name [?]:
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O4/c1-11-3-8-15(9-12(11)2)22-10-16(19)17-13-4-6-14(7-5-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,3,15,19,16,18,4,6,10,2,7,14,17,5,11,13,20,12,21,22,9/E:(4,5)(6,7)(20,21)/CRV:18.5/rA:22nCCCCCCCCOCCONCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.44895 |
Area: | 515.745 |
Solvation: | -9.44467 |
Coulombic: | -39.3328 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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