Chemical ID: 4410994

Cc1cc(cc(c1NC(=O)COc2ccc(cc2)[N+](=O)[O-])C)Br
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

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