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Chemical ID: 6379607
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
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Experimental Annotations
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Descriptor Annotations
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