2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide

C14H20F2N2O2 — CID 110898529

IUPAC2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-2-3-6-18(9-14(17)20)8-13(19)11-5-4-10(15)7-12(11)16/h4-5,7,13,19H,2-3,6,8-9H2,1H3,(H2,17,20)
InChIKeyUVWSZPIZTURPMJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.59
Rot. Bonds8

About 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide

2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide (PubChem CID 110898529) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
PubChem CID110898529
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-2-3-6-18(9-14(17)20)8-13(19)11-5-4-10(15)7-12(11)16/h4-5,7,13,19H,2-3,6,8-9H2,1H3,(H2,17,20)
InChIKeyUVWSZPIZTURPMJ-UHFFFAOYSA-N
XLogP1.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
CID 111564959
2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
CID 62265584
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
methyl 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-ethylamino]propanoate
CID 110910651
3-(N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-fluoroanilino)propanamide
CID 111448247
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
2-[bis(prop-2-ynyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111490393
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide (CID 110898529) is 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide is CCCCN(CC(N)=O)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide?
The InChIKey is UVWSZPIZTURPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-3-6-18(9-14(17)20)8-13(19)11-5-4-10(15)7-12(11)16/h4-5,7,13,19H,2-3,6,8-9H2,1H3,(H2,17,20).
What are the key properties of 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide?
2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide has a molecular weight of 286.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide is sourced from PubChem (CID 110898529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).