3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

C17H22F2N2O3 — CID 111471088

IUPAC3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC1CCCC1O)c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O3/c1-10(22)21-14(17-12(18)5-3-6-13(17)19)8-16(24)20-9-11-4-2-7-15(11)23/h3,5-6,11,14-15,23H,2,4,7-9H2,1H3,(H,20,24)(H,21,22)
InChIKeyXUEFMWDKRRNQEH-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.81
Rot. Bonds6

About 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111471088) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
PubChem CID111471088
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC1CCCC1O)c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O3/c1-10(22)21-14(17-12(18)5-3-6-13(17)19)8-16(24)20-9-11-4-2-7-15(11)23/h3,5-6,11,14-15,23H,2,4,7-9H2,1H3,(H,20,24)(H,21,22)
InChIKeyXUEFMWDKRRNQEH-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111464091
(3R)-1-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124682319
3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125023
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide
CID 146086643
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 146084589
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120946780
2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
CID 111464107
3-[(3R)-1-[(3S)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]piperidin-3-yl]propanoic acid
CID 124682090

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (CID 111471088) is 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is CC(=O)NC(CC(=O)NCC1CCCC1O)c1c(F)cccc1F.
What is the InChIKey of 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is XUEFMWDKRRNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-10(22)21-14(17-12(18)5-3-6-13(17)19)8-16(24)20-9-11-4-2-7-15(11)23/h3,5-6,11,14-15,23H,2,4,7-9H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 340.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111471088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).