Chemical ID: 5775465

c1cc(ccc1NC(=O)CC2CCOCC2)I
Chemical ID:
5775465
Name [?]:
N-(4-iodophenyl)-2-tetrahydropyran-4-yl-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CC2CCOCC2)I
InChi [?]:
InChI=1/C13H16INO2/c14-11-1-3-12(4-2-11)15-13(16)9-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,12,16,13,15,10,11,3,6,8,17,7,9,14/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCNCOCCCCOCCI/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16INO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.06618
Area:449.623
Solvation:-3.1744
Coulombic:-28.0144
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:345.176
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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