2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide

C14H18FNO3 — CID 113228962

IUPAC2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCOCC2)c(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-11-2-3-12(13(15)8-11)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)
InChIKeyORJFHZWFPYYPMK-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.99
Rot. Bonds4

About 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide

2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide (PubChem CID 113228962) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
PubChem CID113228962
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCOCC2)c(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-11-2-3-12(13(15)8-11)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)
InChIKeyORJFHZWFPYYPMK-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
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
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(oxan-4-ylmethyl)benzamide
CID 63705769
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide (CID 113228962) is 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCOCC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is ORJFHZWFPYYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-11-2-3-12(13(15)8-11)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide?
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 267.30 g/mol, XLogP of 1.99, 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-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 113228962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).