N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide

C20H17FN2O2 — CID 54584798

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
InChIInChI=1S/C20H17FN2O2/c1-25-19-10-17(21)7-8-18(19)16-9-14(11-22-13-16)12-23-20(24)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyRAXPLTCGWAHZCE-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.83
Rot. Bonds5

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide (PubChem CID 54584798) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide
PubChem CID54584798
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
InChIInChI=1S/C20H17FN2O2/c1-25-19-10-17(21)7-8-18(19)16-9-14(11-22-13-16)12-23-20(24)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyRAXPLTCGWAHZCE-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4814
BI-9564
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Ave-0118
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Wwl70
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4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
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4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
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4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
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N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
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N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 46911015

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide (CID 54584798) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide is COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is RAXPLTCGWAHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-25-19-10-17(21)7-8-18(19)16-9-14(11-22-13-16)12-23-20(24)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,24).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 54584798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).