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Chemical ID: 4143797
Chemical ID:
4143797
Name [?]:
2-(4-nitrophenoxy)-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O4/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,11,2,16,13,7,9,8,19,10,20,21,12/E:(6,7)(8,9)(19,20)/CRV:17.5/rA:21nCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.34914 |
Area: | 490.265 |
Solvation: | -9.90747 |
Coulombic: | -38.7497 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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