2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide

C13H18F2N2O2 — CID 54938590

IUPAC2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(O)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2/c1-8(2)17-12(19)7-16-6-11(18)13-9(14)4-3-5-10(13)15/h3-5,8,11,16,18H,6-7H2,1-2H3,(H,17,19)
InChIKeyDLOHIPOEFREJQK-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.11
Rot. Bonds6

About 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide

2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide (PubChem CID 54938590) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
PubChem CID54938590
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(O)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2/c1-8(2)17-12(19)7-16-6-11(18)13-9(14)4-3-5-10(13)15/h3-5,8,11,16,18H,6-7H2,1-2H3,(H,17,19)
InChIKeyDLOHIPOEFREJQK-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 95775482
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
CID 111451226
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide (CID 54938590) is 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC(O)c1c(F)cccc1F.
What is the InChIKey of 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is DLOHIPOEFREJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(2)17-12(19)7-16-6-11(18)13-9(14)4-3-5-10(13)15/h3-5,8,11,16,18H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide?
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 272.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54938590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).