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

C15H19F2NO2 — CID 62036284

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CN(CCO)C1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c16-11-5-6-13(14(17)9-11)15(20)10-18(7-8-19)12-3-1-2-4-12/h5-6,9,12,19H,1-4,7-8,10H2
InChIKeyHBGQEASVXMMFAK-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.38
Rot. Bonds6

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

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone (PubChem CID 62036284) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
PubChem CID62036284
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CN(CCO)C1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c16-11-5-6-13(14(17)9-11)15(20)10-18(7-8-19)12-3-1-2-4-12/h5-6,9,12,19H,1-4,7-8,10H2
InChIKeyHBGQEASVXMMFAK-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62037838
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone (CID 62036284) is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone is O=C(CN(CCO)C1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
The InChIKey is HBGQEASVXMMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-11-5-6-13(14(17)9-11)15(20)10-18(7-8-19)12-3-1-2-4-12/h5-6,9,12,19H,1-4,7-8,10H2.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone?
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone has a molecular weight of 283.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 62036284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).