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Chemical ID: 4474380
Chemical ID:
4474380
Name [?]:
2-(4-nitrophenoxy)-N-(2-phenylphenyl)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccccc2NC(=O)COc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H16N2O4/c23-20(14-26-17-12-10-16(11-13-17)22(24)25)21-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,3,5,8,11,20,22,19,23,16,4,21,18,7,12,14,13,24,15,25,26,17/E:(2,3)(6,7)(10,11)(12,13)(24,25)/CRV:22.5/rA:26nCCCCCCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.28688 |
Area: | 566.902 |
Solvation: | -9.88568 |
Coulombic: | -40.9156 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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