Chemical ID: 6396566

Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(cc2)c3ccccc3
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

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Descriptor Annotations

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