N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide

C20H17FN2O2 — CID 53148212

IUPACN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cccnc1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O2/c1-25-18-7-3-2-6-17(18)20(24)23-13-15-5-4-12-22-19(15)14-8-10-16(21)11-9-14/h2-12H,13H2,1H3,(H,23,24)
InChIKeyUQKBFMWTGFSBQS-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.83
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide

N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide (PubChem CID 53148212) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide
PubChem CID53148212
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cccnc1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O2/c1-25-18-7-3-2-6-17(18)20(24)23-13-15-5-4-12-22-19(15)14-8-10-16(21)11-9-14/h2-12H,13H2,1H3,(H,23,24)
InChIKeyUQKBFMWTGFSBQS-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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide (CID 53148212) is N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1cccnc1-c1ccc(F)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide?
The InChIKey is UQKBFMWTGFSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-25-18-7-3-2-6-17(18)20(24)23-13-15-5-4-12-22-19(15)14-8-10-16(21)11-9-14/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide?
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide 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-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 53148212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).