N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C16H24FN3O — CID 81495949

IUPACN-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCC1CNC)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O/c1-3-20(14-8-6-13(17)7-9-14)16(21)12-19-10-4-5-15(19)11-18-2/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyDEFYBPMYVIFTOQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 81495949) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID81495949
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCC1CNC)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O/c1-3-20(14-8-6-13(17)7-9-14)16(21)12-19-10-4-5-15(19)11-18-2/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyDEFYBPMYVIFTOQ-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942428
N-ethyl-N-(4-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62732355
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 47025093
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 81495949) is N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CCN(C(=O)CN1CCCC1CNC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is DEFYBPMYVIFTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-20(14-8-6-13(17)7-9-14)16(21)12-19-10-4-5-15(19)11-18-2/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81495949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).