2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide

C14H19FN2O — CID 103977159

IUPAC2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C14H19FN2O/c1-10(12-6-7-16-9-12)17-14(18)8-11-2-4-13(15)5-3-11/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyYYEMCNCLTQKVKA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide

2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide (PubChem CID 103977159) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
PubChem CID103977159
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C14H19FN2O/c1-10(12-6-7-16-9-12)17-14(18)8-11-2-4-13(15)5-3-11/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyYYEMCNCLTQKVKA-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977256
2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119474033
2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046898
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
N-(1-piperidin-3-ylethyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119474131
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide (CID 103977159) is 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide is CC(NC(=O)Cc1ccc(F)cc1)C1CCNC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is YYEMCNCLTQKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(12-6-7-16-9-12)17-14(18)8-11-2-4-13(15)5-3-11/h2-5,10,12,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide?
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 103977159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).