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Chemical ID: 7477301
Chemical ID:
7477301
Name [?]:
N-(2,5-dimethylphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccccc2[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-7-8-12(2)13(9-11)17-16(19)10-22-15-6-4-3-5-14(15)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,17,14,3,4,7,11,2,5,6,18,13,9,8,19,10,20,21,12/E:(20,21)/CRV:18.5/rA:22nCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.392912 |
Area: | 499.379 |
Solvation: | -12.0916 |
Coulombic: | -37.3001 |
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: | 3.11 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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