2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide

C16H22ClFN2O2 — CID 124754501

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
SMILESCCN1CCCC[C@@H]1CNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H22ClFN2O2/c1-2-20-8-4-3-5-12(20)10-19-16(21)11-22-13-6-7-15(18)14(17)9-13/h6-7,9,12H,2-5,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyODDKEMWZGNKTRP-GFCCVEGCSA-N
MW328.81 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide (PubChem CID 124754501) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
PubChem CID124754501
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
SMILESCCN1CCCC[C@@H]1CNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H22ClFN2O2/c1-2-20-8-4-3-5-12(20)10-19-16(21)11-22-13-6-7-15(18)14(17)9-13/h6-7,9,12H,2-5,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyODDKEMWZGNKTRP-GFCCVEGCSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943889
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
CID 134003439
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide (CID 124754501) is 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide is CCN1CCCC[C@@H]1CNC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
The InChIKey is ODDKEMWZGNKTRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-2-20-8-4-3-5-12(20)10-19-16(21)11-22-13-6-7-15(18)14(17)9-13/h6-7,9,12H,2-5,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide has a molecular weight of 328.81 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 124754501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).