1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone

C13H17FN2O — CID 117108338

IUPAC1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C13H17FN2O/c1-15-9-13(17)11-5-4-10(14)8-12(11)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyCFGFTXYBBZFPDH-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone

1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117108338) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
PubChem CID117108338
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C13H17FN2O/c1-15-9-13(17)11-5-4-10(14)8-12(11)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyCFGFTXYBBZFPDH-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
3-amino-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-one
CID 117345021
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
ethyl 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-oxoacetate
CID 117416816
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375
1-(2,5-difluorophenyl)piperidine
CID 22638080

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone (CID 117108338) is 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(F)cc1N1CCCC1.
What is the InChIKey of 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is CFGFTXYBBZFPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-15-9-13(17)11-5-4-10(14)8-12(11)16-6-2-3-7-16/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 236.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117108338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).