ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide

C17H26FNO2 — CID 144540979

IUPACethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESCC.Cc1ccc(C(=O)NCCC2CCOCC2)c(F)c1
InChIInChI=1S/C15H20FNO2.C2H6/c1-11-2-3-13(14(16)10-11)15(18)17-7-4-12-5-8-19-9-6-12;1-2/h2-3,10,12H,4-9H2,1H3,(H,17,18);1-2H3
InChIKeyXXQOEIBPDBVSEN-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.71
Rot. Bonds4

About ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide

ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide (PubChem CID 144540979) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Nameethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
PubChem CID144540979
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Nameethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESCC.Cc1ccc(C(=O)NCCC2CCOCC2)c(F)c1
InChIInChI=1S/C15H20FNO2.C2H6/c1-11-2-3-13(14(16)10-11)15(18)17-7-4-12-5-8-19-9-6-12;1-2/h2-3,10,12H,4-9H2,1H3,(H,17,18);1-2H3
InChIKeyXXQOEIBPDBVSEN-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
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N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
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4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
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2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
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2-fluoro-4-methyl-N-pentylbenzamide
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4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
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CID 79791073

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide (CID 144540979) is ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide is CC.Cc1ccc(C(=O)NCCC2CCOCC2)c(F)c1.
What is the InChIKey of ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
The InChIKey is XXQOEIBPDBVSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2.C2H6/c1-11-2-3-13(14(16)10-11)15(18)17-7-4-12-5-8-19-9-6-12;1-2/h2-3,10,12H,4-9H2,1H3,(H,17,18);1-2H3.
What are the key properties of ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide has a molecular weight of 295.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 144540979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).