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Chemical ID: 5516514
Chemical ID:
5516514
Name [?]:
N-(4-iodophenyl)-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C17H14INO2/c1-11-2-7-15-12(10-21-16(15)8-11)9-17(20)19-14-5-3-13(18)4-6-14/h2-8,10H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,19,16,20,4,7,11,9,2,10,18,15,5,6,12,21,14,13,8/E:(3,4)(5,6)/rA:21nCCCCCCCOCCCCONCCCCCCI/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14INO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36447 |
Area: | 511.689 |
Solvation: | -3.42775 |
Coulombic: | -27.3702 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 391.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.27 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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