Chemical ID: 5625568

CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cccc(c2)Cl
Chemical ID:
5625568
Name [?]:
3-chloro-N-(4-ethoxy-2-nitro-phenyl)-benzamide
SMILES [?]:
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C15H13ClN2O4/c1-2-22-12-6-7-13(14(9-12)18(20)21)17-15(19)10-4-3-5-11(16)8-10/h3-9H,2H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,5,6,21,9,16,20,4,7,8,14,22,13,10,15,11,12,3/E:(20,21)/CRV:18.5/rA:22nCCOCCCCCCN+OO-NCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.30238
Area:514.727
Solvation:-6.56578
Coulombic:-43.2583
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.728
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.37
LogP (Chemaxon):3.66

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