N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide

C15H21FN2O2 — CID 56951797

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESCCN1CCCC1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-18-9-3-4-13(18)10-17-15(19)11-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeySKLJONDQPWPTBT-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.80
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 56951797) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID56951797
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESCCN1CCCC1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-18-9-3-4-13(18)10-17-15(19)11-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeySKLJONDQPWPTBT-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 124754501
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-butoxy-N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 60589470
N-cyclopropyl-2-[4-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111261147
cis-(1S,2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124740614
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71899768
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide (CID 56951797) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide is CCN1CCCC1CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is SKLJONDQPWPTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-18-9-3-4-13(18)10-17-15(19)11-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 56951797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).