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Chemical ID: 5818141
Chemical ID:
5818141
Name [?]:
N-(4-methoxy-2-nitro-phenyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(cc2[N+](=O)[O-])OC
InChi [?]:
InChI=1/C15H14N2O4/c1-10-3-5-11(6-4-10)15(18)16-13-8-7-12(21-2)9-14(13)17(19)20/h3-9H,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,4,6,13,12,15,2,5,14,11,16,8,10,17,9,18,19,20/E:(3,4)(5,6)(19,20)/CRV:17.5/rA:21nCCCCCCCCONCCCCCCN+OO-OC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.03701 |
Area: | 473.223 |
Solvation: | -6.79357 |
Coulombic: | -42.5052 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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