Chemical ID: 6512111

CCC(=O)Nc1ccc(cc1)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
Chemical ID:
6512111
Name [?]:
2-bromo-5-nitro-N-(4-propanoylaminophenyl)-benzamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H14BrN3O4/c1-2-15(21)18-10-3-5-11(6-4-10)19-16(22)13-9-12(20(23)24)7-8-14(13)17/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,8,10,18,19,16,6,9,17,15,20,3,13,21,5,12,22,4,14,23,24/E:(3,4)(5,6)(23,24)/CRV:20.5/rA:24nCCCONCCCCCCNCOCCCCCCBrN+OO-/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14BrN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.40134
Area:547.08
Solvation:-9.27566
Coulombic:-49.8492
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.204
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.64
LogP (Chemaxon):3.8

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