2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide

C12H17FN2O2 — CID 114059093

IUPAC2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(F)cccc1C(C)O
InChIInChI=1S/C12H17FN2O2/c1-8(16)9-5-4-6-10(13)12(9)15(3)7-11(17)14-2/h4-6,8,16H,7H2,1-3H3,(H,14,17)
InChIKeyLXEDSSNHPNUBCU-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds4

About 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide

2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide (PubChem CID 114059093) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
PubChem CID114059093
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(F)cccc1C(C)O
InChIInChI=1S/C12H17FN2O2/c1-8(16)9-5-4-6-10(13)12(9)15(3)7-11(17)14-2/h4-6,8,16H,7H2,1-3H3,(H,14,17)
InChIKeyLXEDSSNHPNUBCU-UHFFFAOYSA-N
XLogP1.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
CID 114059089
1-[3-fluoro-2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 114059096
2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 43506218
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
CID 54984732
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443
2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117108572
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82129844
1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 114059222
2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
CID 43657341

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide (CID 114059093) is 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1c(F)cccc1C(C)O.
What is the InChIKey of 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
The InChIKey is LXEDSSNHPNUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(16)9-5-4-6-10(13)12(9)15(3)7-11(17)14-2/h4-6,8,16H,7H2,1-3H3,(H,14,17).
What are the key properties of 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 114059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).