N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C13H23F2NO2 — CID 104857707

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C13H23F2NO2/c1-10(2)7-12(5-3-4-6-12)11(18)16-8-13(14,15)9-17/h10,17H,3-9H2,1-2H3,(H,16,18)
InChIKeyULMZASOGXFUSNM-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.34
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 104857707) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID104857707
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C13H23F2NO2/c1-10(2)7-12(5-3-4-6-12)11(18)16-8-13(14,15)9-17/h10,17H,3-9H2,1-2H3,(H,16,18)
InChIKeyULMZASOGXFUSNM-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106254606
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119430611
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
CID 104857177
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 104857707) is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NCC(F)(F)CO)CCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is ULMZASOGXFUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-10(2)7-12(5-3-4-6-12)11(18)16-8-13(14,15)9-17/h10,17H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104857707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).