1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone

C14H17F2NO2 — CID 43797495

IUPAC1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C14H17F2NO2/c1-17(11-4-6-19-7-5-11)9-14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyWUMWEUATSMMXTM-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone

1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone (PubChem CID 43797495) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
PubChem CID43797495
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1F)C1CCOCC1
InChIInChI=1S/C14H17F2NO2/c1-17(11-4-6-19-7-5-11)9-14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyWUMWEUATSMMXTM-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607094
1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797441
4-fluoro-2-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 107907567
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
1-(2,4-difluorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950493
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797490
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797473
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone (CID 43797495) is 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone is CN(CC(=O)c1ccc(F)cc1F)C1CCOCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
The InChIKey is WUMWEUATSMMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-17(11-4-6-19-7-5-11)9-14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone has a molecular weight of 269.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone is sourced from PubChem (CID 43797495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).