2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone

C12H16FNO4 — CID 62050462

IUPAC2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESO=C(CN(CCO)CCO)c1cc(F)ccc1O
InChIInChI=1S/C12H16FNO4/c13-9-1-2-11(17)10(7-9)12(18)8-14(3-5-15)4-6-16/h1-2,7,15-17H,3-6,8H2
InChIKeyCYJIYIXTZPPADX-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.00
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone

2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 62050462) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
PubChem CID62050462
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
SMILESO=C(CN(CCO)CCO)c1cc(F)ccc1O
InChIInChI=1S/C12H16FNO4/c13-9-1-2-11(17)10(7-9)12(18)8-14(3-5-15)4-6-16/h1-2,7,15-17H,3-6,8H2
InChIKeyCYJIYIXTZPPADX-UHFFFAOYSA-N
XLogP0.00
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
N-(2-aminophenyl)-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298336
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone (CID 62050462) is 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone is O=C(CN(CCO)CCO)c1cc(F)ccc1O.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is CYJIYIXTZPPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c13-9-1-2-11(17)10(7-9)12(18)8-14(3-5-15)4-6-16/h1-2,7,15-17H,3-6,8H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone?
2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 257.26 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 62050462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).