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

C12H16F2N2O2 — CID 54938970

IUPAC2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-2-16-12(18)7-15-6-11(17)9-4-3-8(13)5-10(9)14/h3-5,11,15,17H,2,6-7H2,1H3,(H,16,18)
InChIKeyVXOAXKWDDMERAF-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.72
Rot. Bonds6

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

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide (PubChem CID 54938970) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
PubChem CID54938970
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-2-16-12(18)7-15-6-11(17)9-4-3-8(13)5-10(9)14/h3-5,11,15,17H,2,6-7H2,1H3,(H,16,18)
InChIKeyVXOAXKWDDMERAF-UHFFFAOYSA-N
XLogP0.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide (CID 54938970) is 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide is CCNC(=O)CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide?
The InChIKey is VXOAXKWDDMERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-2-16-12(18)7-15-6-11(17)9-4-3-8(13)5-10(9)14/h3-5,11,15,17H,2,6-7H2,1H3,(H,16,18).
What are the key properties of 2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide?
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide has a molecular weight of 258.27 g/mol, XLogP of 0.72, 6 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-ethylacetamide is sourced from PubChem (CID 54938970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).