2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide

C13H16FNO3 — CID 113222377

IUPAC2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCOC2)c(F)c1
InChIInChI=1S/C13H16FNO3/c1-17-10-2-3-11(12(14)6-10)13(16)15-7-9-4-5-18-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyIUVXEZANMUHARF-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.60
Rot. Bonds4

About 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide

2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 113222377) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
PubChem CID113222377
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCOC2)c(F)c1
InChIInChI=1S/C13H16FNO3/c1-17-10-2-3-11(12(14)6-10)13(16)15-7-9-4-5-18-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyIUVXEZANMUHARF-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide (CID 113222377) is 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCOC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is IUVXEZANMUHARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-10-2-3-11(12(14)6-10)13(16)15-7-9-4-5-18-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide?
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 113222377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).