3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide

C11H19F2NO2 — CID 104858128

IUPAC3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
SMILESO=C(CCC1CCCC1)NCC(F)(F)CO
InChIInChI=1S/C11H19F2NO2/c12-11(13,8-15)7-14-10(16)6-5-9-3-1-2-4-9/h9,15H,1-8H2,(H,14,16)
InChIKeyIPKHCDJPBKMQJD-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.70
Rot. Bonds6

About 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide

3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide (PubChem CID 104858128) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
PubChem CID104858128
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
SMILESO=C(CCC1CCCC1)NCC(F)(F)CO
InChIInChI=1S/C11H19F2NO2/c12-11(13,8-15)7-14-10(16)6-5-9-3-1-2-4-9/h9,15H,1-8H2,(H,14,16)
InChIKeyIPKHCDJPBKMQJD-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 106176991
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 106173130
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide (CID 104858128) is 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide is O=C(CCC1CCCC1)NCC(F)(F)CO.
What is the InChIKey of 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The InChIKey is IPKHCDJPBKMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c12-11(13,8-15)7-14-10(16)6-5-9-3-1-2-4-9/h9,15H,1-8H2,(H,14,16).
What are the key properties of 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide?
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide has a molecular weight of 235.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide is sourced from PubChem (CID 104858128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).