5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

C16H22FIN2O — CID 60616293

IUPAC5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2cc(F)ccc2I)C1
InChIInChI=1S/C16H22FIN2O/c1-11(2)20-7-3-4-12(10-20)9-19-16(21)14-8-13(17)5-6-15(14)18/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,21)
InChIKeyYPYVTVGGHYOOLF-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.28
Rot. Bonds4

About 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (PubChem CID 60616293) has the molecular formula C16H22FIN2O and a molecular weight of 404.27 g/mol. Its IUPAC name is 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
PubChem CID60616293
Molecular FormulaC16H22FIN2O
Molecular Weight404.27 g/mol
Exact Mass404.08
IUPAC Name5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2cc(F)ccc2I)C1
InChIInChI=1S/C16H22FIN2O/c1-11(2)20-7-3-4-12(10-20)9-19-16(21)14-8-13(17)5-6-15(14)18/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,21)
InChIKeyYPYVTVGGHYOOLF-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
CID 94821318
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide
CID 86949707
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-fluoro-2-iodobenzamide
CID 60616328
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60614144
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (CID 60616293) is 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is CC(C)N1CCCC(CNC(=O)c2cc(F)ccc2I)C1.
What is the InChIKey of 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The InChIKey is YPYVTVGGHYOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FIN2O/c1-11(2)20-7-3-4-12(10-20)9-19-16(21)14-8-13(17)5-6-15(14)18/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide has a molecular weight of 404.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 60616293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).