3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide

C13H17FN2O2 — CID 62660307

IUPAC3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)NC1CCOCC1
InChIInChI=1S/C13H17FN2O2/c1-15-12-10(3-2-4-11(12)14)13(17)16-9-5-7-18-8-6-9/h2-4,9,15H,5-8H2,1H3,(H,16,17)
InChIKeyVKZUDRTVGLUVHE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.78
Rot. Bonds3

About 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide

3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide (PubChem CID 62660307) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
PubChem CID62660307
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)NC1CCOCC1
InChIInChI=1S/C13H17FN2O2/c1-15-12-10(3-2-4-11(12)14)13(17)16-9-5-7-18-8-6-9/h2-4,9,15H,5-8H2,1H3,(H,16,17)
InChIKeyVKZUDRTVGLUVHE-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
3-fluoro-2-hydrazinyl-N-(4-hydroxycyclohexyl)benzamide
CID 62660970
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide (CID 62660307) is 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide is CNc1c(F)cccc1C(=O)NC1CCOCC1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide?
The InChIKey is VKZUDRTVGLUVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-15-12-10(3-2-4-11(12)14)13(17)16-9-5-7-18-8-6-9/h2-4,9,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide?
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 62660307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).