Chemical ID: 6379607

Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C
Chemical ID:
6379607
Name [?]:
4-methyl-3-nitro-N-(p-tolylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O3/c1-11-3-6-13(7-4-11)10-17-16(19)14-8-5-12(2)15(9-14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,14,4,6,13,17,8,2,15,5,12,16,10,9,18,11,19,20/E:(3,4)(6,7)(20,21)/CRV:18.5/rA:21nCCCCCCCCNCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.5769
Area:500.665
Solvation:-6.93973
Coulombic:-35.0501
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.31
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):3.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue