Chemical ID: 4486022

Cc1cc(cc(c1)C(=O)Nc2ccc(cc2C)[N+](=O)[O-])C
Chemical ID:
4486022
Name [?]:
3,5-dimethyl-N-(2-methyl-4-nitro-phenyl)-benzamide
SMILES [?]:
Cc1cc(cc(c1)C(=O)Nc2ccc(cc2C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O3/c1-10-6-11(2)8-13(7-10)16(19)17-15-5-4-14(18(20)21)9-12(15)3/h4-9H,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,17,13,12,3,7,5,15,2,4,16,6,14,11,8,10,18,9,19,20/E:(1,2)(7,8)(10,11)(20,21)/CRV:18.5/rA:21nCCCCCCCCONCCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;d18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.51306
Area:491.225
Solvation:-6.76757
Coulombic:-34.2283
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.31
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.86
LogP (Chemaxon):3.81

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Descriptor Annotations

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