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Chemical ID: 4410994
Chemical ID:
4410994
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)COc2ccc(cc2)[N+](=O)[O-])C)Br
InChi [?]:
InChI=1/C16H15BrN2O4/c1-10-7-12(17)8-11(2)16(10)18-15(20)9-23-14-5-3-13(4-6-14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,15,17,14,18,3,5,11,2,6,4,16,13,9,7,23,8,19,10,20,21,12/E:(1,2)(3,4)(5,6)(7,8)(10,11)(21,22)/CRV:19.5/rA:23nCCCCCCCNCOCOCCCCCCN+OO-CBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15BrN2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.39982 |
Area: | 537.265 |
Solvation: | -10.0318 |
Coulombic: | -38.0737 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.205 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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