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Chemical ID: 4243572
Chemical ID:
4243572
Name [?]:
N-(2-iodophenyl)-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])I
InChi [?]:
InChI=1/C17H11IN2O4/c18-13-3-1-2-4-14(13)19-17(21)16-10-9-15(24-16)11-5-7-12(8-6-11)20(22)23/h1-10H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,16,20,17,19,12,11,15,18,4,5,13,10,8,24,7,21,9,22,23,14/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:24nCCCCCCNCOCCCCOCCCCCCN+OO-I/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s18;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11IN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35241 |
Area: | 557.96 |
Solvation: | -7.5966 |
Coulombic: | -43.7586 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 434.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.48 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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