2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide

C14H19FN2O2 — CID 63099891

IUPAC2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
SMILESCc1ccc(NCC(=O)NC2CCOCC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-10-2-3-13(12(15)8-10)16-9-14(18)17-11-4-6-19-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyCJXFLLFBVZVJKI-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide

2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide (PubChem CID 63099891) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
PubChem CID63099891
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
SMILESCc1ccc(NCC(=O)NC2CCOCC2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-10-2-3-13(12(15)8-10)16-9-14(18)17-11-4-6-19-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyCJXFLLFBVZVJKI-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
N-cyclopropyl-2-(2,5-difluoroanilino)acetamide
CID 28574514
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
2-(naphthalen-1-ylamino)-N-(oxan-4-yl)acetamide
CID 63099020
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098146

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide (CID 63099891) is 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide is Cc1ccc(NCC(=O)NC2CCOCC2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide?
The InChIKey is CJXFLLFBVZVJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-2-3-13(12(15)8-10)16-9-14(18)17-11-4-6-19-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide?
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).