Chemical ID: 6648027

CCc1cccc(c1NC(=O)CI)CC
Chemical ID:
6648027
Name [?]:
N-(2,6-diethylphenyl)-2-iodo-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)CI)CC
InChi [?]:
InChI=1/C12H16INO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,2,14,5,4,6,12,3,7,10,8,13,9,11/E:(1,2)(3,4)(6,7)(9,10)/rA:15nCCCCCCCCNCOCICC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s7;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16INO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.23733
Area:421.671
Solvation:-2.30443
Coulombic:-20.4003
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.166
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.43
LogP (Chemaxon):2.86

Name Annotations

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Descriptor Annotations

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