2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide

C13H16FIN2O — CID 120553263

IUPAC2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1c(F)cccc1I
InChIInChI=1S/C13H16FIN2O/c1-8-7-16-6-5-11(8)17-13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)
InChIKeyPBAZNWVZUWPVHS-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.16
Rot. Bonds2

About 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide

2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120553263) has the molecular formula C13H16FIN2O and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120553263
Molecular FormulaC13H16FIN2O
Molecular Weight362.19 g/mol
Exact Mass362.03
IUPAC Name2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1c(F)cccc1I
InChIInChI=1S/C13H16FIN2O/c1-8-7-16-6-5-11(8)17-13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)
InChIKeyPBAZNWVZUWPVHS-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826149
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120555714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide (CID 120553263) is 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide is CC1CNCCC1NC(=O)c1c(F)cccc1I.
What is the InChIKey of 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is PBAZNWVZUWPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O/c1-8-7-16-6-5-11(8)17-13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide?
2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 362.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120553263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).