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Chemical ID: 7288560
Chemical ID:
7288560
Name [?]:
2-(2-allyl-4-nitro-phenoxy)-N-(4-bromo-2-fluoro-phenyl)-acetamide
SMILES [?]:
C=CCc1cc(ccc1OCC(=O)Nc2ccc(cc2F)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H14BrFN2O4/c1-2-3-11-8-13(21(23)24)5-7-16(11)25-10-17(22)20-15-6-4-12(18)9-14(15)19/h2,4-9H,1,3,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,7,16,8,5,19,11,4,18,6,20,15,9,12,22,21,14,23,13,24,25,10/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCOCCONCCCCCCFBrN+OO-/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;s6;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14BrFN2O4 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.56719 |
Area: | 574.796 |
Solvation: | -9.80271 |
Coulombic: | -44.6413 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.207 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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