3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide

C14H18F2N2O2 — CID 129350554

IUPAC3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-17-14(20)4-5-18-8-10(19)7-13(18)9-2-3-11(15)12(16)6-9/h2-3,6,10,13,19H,4-5,7-8H2,1H3,(H,17,20)/t10-,13+/m1/s1
InChIKeyFOIXPTIIOFWMCN-MFKMUULPSA-N
MW284.31 g/mol
LogP1.21
Rot. Bonds4

About 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide

3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 129350554) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide
PubChem CID129350554
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-17-14(20)4-5-18-8-10(19)7-13(18)9-2-3-11(15)12(16)6-9/h2-3,6,10,13,19H,4-5,7-8H2,1H3,(H,17,20)/t10-,13+/m1/s1
InChIKeyFOIXPTIIOFWMCN-MFKMUULPSA-N
XLogP1.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 100672674
(3S,5R)-5-(3,4-difluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
CID 129446966
4-[[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 129350585
(3R,5S)-5-(3,4-difluorophenyl)-1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-3-ol
CID 129447342
(3R,5R)-5-(3,4-difluorophenyl)-1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-3-ol
CID 100751335
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
1-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348407
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348408
5-[[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 129350963
5-(3,4-difluorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 120855129
(3R,5S)-5-(3,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350539
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 129350156

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide (CID 129350554) is 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is FOIXPTIIOFWMCN-MFKMUULPSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-17-14(20)4-5-18-8-10(19)7-13(18)9-2-3-11(15)12(16)6-9/h2-3,6,10,13,19H,4-5,7-8H2,1H3,(H,17,20)/t10-,13+/m1/s1.
What are the key properties of 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide?
3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 284.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 129350554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).