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Chemical ID: 4159970
Chemical ID:
4159970
Name [?]:
2-(3-ethylphenoxy)-N-(4-nitrophenyl)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O4/c1-2-12-4-3-5-15(10-12)22-11-16(19)17-13-6-8-14(9-7-13)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,15,19,16,18,8,10,3,14,17,7,11,13,20,12,21,22,9/E:(6,7)(8,9)(20,21)/CRV:18.5/rA:22nCCCCCCCCOCCONCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.62634 |
Area: | 521.477 |
Solvation: | -9.41057 |
Coulombic: | -39.9281 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.34 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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