2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide

C14H19FN2O2 — CID 114760166

IUPAC2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCNC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-17(10-14(19)6-7-16-9-14)13(18)8-11-2-4-12(15)5-3-11/h2-5,16,19H,6-10H2,1H3
InChIKeyCLRZFLVETGOWIW-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.55
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide

2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 114760166) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID114760166
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCNC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-17(10-14(19)6-7-16-9-14)13(18)8-11-2-4-12(15)5-3-11/h2-5,16,19H,6-10H2,1H3
InChIKeyCLRZFLVETGOWIW-UHFFFAOYSA-N
XLogP0.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760433
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
CID 114873917
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 114760357
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide (CID 114760166) is 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide is CN(CC1(O)CCNC1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is CLRZFLVETGOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(10-14(19)6-7-16-9-14)13(18)8-11-2-4-12(15)5-3-11/h2-5,16,19H,6-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 266.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 114760166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).