2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide

C11H14F2N2O2 — CID 60901420

IUPAC2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-14-11(17)6-15-5-10(16)8-3-2-7(12)4-9(8)13/h2-4,10,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyQANOIUIFSQJACC-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.33
Rot. Bonds5

About 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide (PubChem CID 60901420) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
PubChem CID60901420
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-14-11(17)6-15-5-10(16)8-3-2-7(12)4-9(8)13/h2-4,10,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyQANOIUIFSQJACC-UHFFFAOYSA-N
XLogP0.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide (CID 60901420) is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide is CNC(=O)CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
The InChIKey is QANOIUIFSQJACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-14-11(17)6-15-5-10(16)8-3-2-7(12)4-9(8)13/h2-4,10,15-16H,5-6H2,1H3,(H,14,17).
What are the key properties of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide?
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide has a molecular weight of 244.24 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide is sourced from PubChem (CID 60901420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).