Chemical ID: 5516514

Cc1ccc2c(c1)occ2CC(=O)Nc3ccc(cc3)I
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue