2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone

C15H19F2NO2 — CID 102864457

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CN(CCCO)C1CCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO2/c16-11-5-6-14(17)13(9-11)15(20)10-18(7-2-8-19)12-3-1-4-12/h5-6,9,12,19H,1-4,7-8,10H2
InChIKeyHOSWIMIQLKXFHC-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.38
Rot. Bonds7

About 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone

2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone (PubChem CID 102864457) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
PubChem CID102864457
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CN(CCCO)C1CCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO2/c16-11-5-6-14(17)13(9-11)15(20)10-18(7-2-8-19)12-3-1-4-12/h5-6,9,12,19H,1-4,7-8,10H2
InChIKeyHOSWIMIQLKXFHC-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 55001742
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
1-(2,5-difluorophenyl)-4-hydroxybutan-1-one
CID 70946452
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 111457031
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 102848326
2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone
CID 62141584

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone (CID 102864457) is 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone is O=C(CN(CCCO)C1CCC1)c1cc(F)ccc1F.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone?
The InChIKey is HOSWIMIQLKXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-11-5-6-14(17)13(9-11)15(20)10-18(7-2-8-19)12-3-1-4-12/h5-6,9,12,19H,1-4,7-8,10H2.
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone?
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone has a molecular weight of 283.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 102864457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).