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Chemical ID: 7527311
Chemical ID:
7527311
Name [?]:
N-(4-iodophenyl)-2-(5-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)c(co2)CC(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C17H14INO2/c1-11-2-7-16-15(8-11)12(10-21-16)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:1,3,17,19,16,20,4,7,11,9,2,8,18,15,6,5,12,21,14,13,10/E:(3,4)(5,6)/rA:21nCCCCCCCCCOCCONCCCCCCI/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s8;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14INO2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.33379 |
Area: | 510.947 |
Solvation: | -3.43988 |
Coulombic: | -27.3418 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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