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Chemical ID: 7029122
Chemical ID:
7029122
Name [?]:
N-(4-ethylphenyl)-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H16N2O4/c1-2-13-3-7-15(8-4-13)20-19(22)18-12-11-17(25-18)14-5-9-16(10-6-14)21(23)24/h3-12H,2H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,18,22,5,7,19,21,14,13,3,17,6,20,15,12,10,9,23,11,24,25,16/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:21.5/rA:25nCCCCCCCCNCOCCCCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.26427 |
Area: | 563.699 |
Solvation: | -7.8282 |
Coulombic: | -43.6816 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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