2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide

C18H21FN2O2S — CID 126853825

IUPAC2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C18H21FN2O2S/c1-13(23-17-5-3-2-4-16(17)19)18(22)20-15-6-8-21(11-15)10-14-7-9-24-12-14/h2-5,7,9,12-13,15H,6,8,10-11H2,1H3,(H,20,22)
InChIKeyKAEBKFIOXHOQHY-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide

2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide (PubChem CID 126853825) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide
PubChem CID126853825
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C18H21FN2O2S/c1-13(23-17-5-3-2-4-16(17)19)18(22)20-15-6-8-21(11-15)10-14-7-9-24-12-14/h2-5,7,9,12-13,15H,6,8,10-11H2,1H3,(H,20,22)
InChIKeyKAEBKFIOXHOQHY-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
(4S,5S)-5-(2-fluorophenoxy)-1-(thiophen-3-ylmethyl)azepan-4-ol
CID 110128621
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 171137288
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 126855428

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide (CID 126853825) is 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide is CC(Oc1ccccc1F)C(=O)NC1CCN(Cc2ccsc2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is KAEBKFIOXHOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-13(23-17-5-3-2-4-16(17)19)18(22)20-15-6-8-21(11-15)10-14-7-9-24-12-14/h2-5,7,9,12-13,15H,6,8,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide?
2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 348.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 126853825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).