2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone

C15H21FN2O2 — CID 61442295

IUPAC2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
SMILESCC(O)c1c(F)cccc1N(C)CC(=O)N1CCCC1
InChIInChI=1S/C15H21FN2O2/c1-11(19)15-12(16)6-5-7-13(15)17(2)10-14(20)18-8-3-4-9-18/h5-7,11,19H,3-4,8-10H2,1-2H3
InChIKeyFJIBLKYMLCYZSR-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.94
Rot. Bonds4

About 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone

2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone (PubChem CID 61442295) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
PubChem CID61442295
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
SMILESCC(O)c1c(F)cccc1N(C)CC(=O)N1CCCC1
InChIInChI=1S/C15H21FN2O2/c1-11(19)15-12(16)6-5-7-13(15)17(2)10-14(20)18-8-3-4-9-18/h5-7,11,19H,3-4,8-10H2,1-2H3
InChIKeyFJIBLKYMLCYZSR-UHFFFAOYSA-N
XLogP1.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415634
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415669
(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
CID 78941206
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone (CID 61442295) is 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone is CC(O)c1c(F)cccc1N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
The InChIKey is FJIBLKYMLCYZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(19)15-12(16)6-5-7-13(15)17(2)10-14(20)18-8-3-4-9-18/h5-7,11,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone has a molecular weight of 280.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61442295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).