Chemical ID: 4407618

Cc1cc(ccc1Br)NC(=O)COc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4407618
Name [?]:
N-(4-bromo-3-methyl-phenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)COc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13BrN2O4/c1-10-8-11(2-7-14(10)16)17-15(19)9-22-13-5-3-12(4-6-13)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,16,18,15,19,6,3,12,2,4,17,14,7,10,8,9,20,11,21,22,13/E:(3,4)(5,6)(20,21)/CRV:18.5/rA:22nCCCCCCCBrNCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.13003
Area:520.603
Solvation:-9.88506
Coulombic:-38.4375
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.179
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):4.09

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