Chemical ID: 7288560

C=CCc1cc(ccc1OCC(=O)Nc2ccc(cc2F)Br)[N+](=O)[O-]
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

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