ChemDB: Chemical Search
Download
Chemical ID: 6396566
Chemical ID:
6396566
Name [?]:
N-(4-methyl-2-nitro-phenyl)-4-phenyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C20H16N2O3/c1-14-7-12-18(19(13-14)22(24)25)21-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,3,16,18,15,19,4,7,2,20,17,14,5,6,12,11,8,13,9,10/E:(3,4)(5,6)(8,9)(10,11)(24,25)/CRV:22.5/rA:25nCCCCCCCN+OO-NCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58667 |
Area: | 540.81 |
Solvation: | -5.93358 |
Coulombic: | -38.8102 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.78 |
LogP (Chemaxon): | 5.21 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|