2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone

C14H19F2NO2 — CID 62050932

IUPAC2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCCCCN(CCO)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c1-2-3-6-17(7-8-18)10-14(19)12-5-4-11(15)9-13(12)16/h4-5,9,18H,2-3,6-8,10H2,1H3
InChIKeySSJWDCGJXUMIDQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.24
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone

2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone (PubChem CID 62050932) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
PubChem CID62050932
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCCCCN(CCO)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c1-2-3-6-17(7-8-18)10-14(19)12-5-4-11(15)9-13(12)16/h4-5,9,18H,2-3,6-8,10H2,1H3
InChIKeySSJWDCGJXUMIDQ-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62050462
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
3-[[2-(2,4-difluorophenyl)-2-oxoethyl]-ethylamino]propanenitrile
CID 62035136
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
1-(2,4-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63696697
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone (CID 62050932) is 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone is CCCCN(CCO)CC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
The InChIKey is SSJWDCGJXUMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-3-6-17(7-8-18)10-14(19)12-5-4-11(15)9-13(12)16/h4-5,9,18H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone has a molecular weight of 271.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 62050932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).