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Chemical ID: 5775465
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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