5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide

C18H18FIN2O2 — CID 86877934

IUPAC5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)c1cc(F)ccc1I
InChIInChI=1S/C18H18FIN2O2/c19-12-5-6-15(20)14(11-12)18(24)21-16-3-1-2-4-17(16)22-9-7-13(23)8-10-22/h1-6,11,13,23H,7-10H2,(H,21,24)
InChIKeyQIKSWBMKVFKZJJ-UHFFFAOYSA-N
MW440.26 g/mol
LogP3.64
Rot. Bonds3

About 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide

5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide (PubChem CID 86877934) has the molecular formula C18H18FIN2O2 and a molecular weight of 440.26 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
PubChem CID86877934
Molecular FormulaC18H18FIN2O2
Molecular Weight440.26 g/mol
Exact Mass440.04
IUPAC Name5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)c1cc(F)ccc1I
InChIInChI=1S/C18H18FIN2O2/c19-12-5-6-15(20)14(11-12)18(24)21-16-3-1-2-4-17(16)22-9-7-13(23)8-10-22/h1-6,11,13,23H,7-10H2,(H,21,24)
InChIKeyQIKSWBMKVFKZJJ-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.26
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 110900176
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1H-indazole-7-carboxamide
CID 110901915
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110932033
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide?
The IUPAC name of 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide (CID 86877934) is 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide?
The canonical SMILES for 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide is O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(F)ccc1I.
What is the InChIKey of 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide?
The InChIKey is QIKSWBMKVFKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN2O2/c19-12-5-6-15(20)14(11-12)18(24)21-16-3-1-2-4-17(16)22-9-7-13(23)8-10-22/h1-6,11,13,23H,7-10H2,(H,21,24).
What are the key properties of 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide?
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide has a molecular weight of 440.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 86877934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).