Chemical ID: 4387512

Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2cccc(c2C)Cl
Chemical ID:
4387512
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(3-methyl-4-nitro-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C16H15ClN2O4/c1-10-8-12(6-7-15(10)19(21)22)23-9-16(20)18-14-5-3-4-13(17)11(14)2/h3-8H,9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,18,19,17,5,6,3,12,2,21,4,20,16,7,13,23,15,8,14,9,10,11/E:(21,22)/CRV:19.5/rA:23nCCCCCCCN+OO-OCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.14456
Area:536.776
Solvation:-9.27484
Coulombic:-39.7931
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.754
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):3.63

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