5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

C16H16FIN2O3 — CID 60616344

IUPAC5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ncccc1CNC(=O)c1cc(F)ccc1I
InChIInChI=1S/C16H16FIN2O3/c1-22-7-8-23-16-11(3-2-6-19-16)10-20-15(21)13-9-12(17)4-5-14(13)18/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyHIVRUFBEKNDJMA-UHFFFAOYSA-N
MW430.22 g/mol
LogP2.78
Rot. Bonds7

About 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide

5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 60616344) has the molecular formula C16H16FIN2O3 and a molecular weight of 430.22 g/mol. Its IUPAC name is 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID60616344
Molecular FormulaC16H16FIN2O3
Molecular Weight430.22 g/mol
Exact Mass430.02
IUPAC Name5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
SMILESCOCCOc1ncccc1CNC(=O)c1cc(F)ccc1I
InChIInChI=1S/C16H16FIN2O3/c1-22-7-8-23-16-11(3-2-6-19-16)10-20-15(21)13-9-12(17)4-5-14(13)18/h2-6,9H,7-8,10H2,1H3,(H,20,21)
InChIKeyHIVRUFBEKNDJMA-UHFFFAOYSA-N
XLogP2.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
CID 71929536
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47036298
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
1-[2-(3-fluorophenyl)ethyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111394835
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111569185
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide (CID 60616344) is 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is COCCOc1ncccc1CNC(=O)c1cc(F)ccc1I.
What is the InChIKey of 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is HIVRUFBEKNDJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN2O3/c1-22-7-8-23-16-11(3-2-6-19-16)10-20-15(21)13-9-12(17)4-5-14(13)18/h2-6,9H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide?
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 430.22 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 60616344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).