2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide

C20H17FN2O2 — CID 118911742

IUPAC2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(F)cc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H17FN2O2/c1-14-8-9-16(21)11-15(14)13-25-19-7-3-2-6-18(19)20(24)23-17-5-4-10-22-12-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyLZZHTMJRNQQFCF-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.36
Rot. Bonds5

About 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide

2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911742) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911742
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(F)cc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H17FN2O2/c1-14-8-9-16(21)11-15(14)13-25-19-7-3-2-6-18(19)20(24)23-17-5-4-10-22-12-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyLZZHTMJRNQQFCF-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 118911742) is 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide is Cc1ccc(F)cc1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is LZZHTMJRNQQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-14-8-9-16(21)11-15(14)13-25-19-7-3-2-6-18(19)20(24)23-17-5-4-10-22-12-17/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide?
2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 336.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).