N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide

C14H20FN3O2 — CID 133123523

IUPACN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESCC1NNC(C)C1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-9-13(10(2)18-17-9)7-16-14(19)8-20-12-5-3-11(15)4-6-12/h3-6,9-10,13,17-18H,7-8H2,1-2H3,(H,16,19)
InChIKeyBPIUOMPPNUZTNM-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.82
Rot. Bonds5

About N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 133123523) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID133123523
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESCC1NNC(C)C1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-9-13(10(2)18-17-9)7-16-14(19)8-20-12-5-3-11(15)4-6-12/h3-6,9-10,13,17-18H,7-8H2,1-2H3,(H,16,19)
InChIKeyBPIUOMPPNUZTNM-UHFFFAOYSA-N
XLogP0.82
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide
CID 91909656
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide (CID 133123523) is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide is CC1NNC(C)C1CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is BPIUOMPPNUZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9-13(10(2)18-17-9)7-16-14(19)8-20-12-5-3-11(15)4-6-12/h3-6,9-10,13,17-18H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide?
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 281.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 133123523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).