2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride

C12H17ClFN3O — CID 119917633

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
SMILESCl.NC1CCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C12H16FN3O.ClH/c13-10-3-1-2-4-11(10)15-12(17)8-16-6-5-9(14)7-16;/h1-4,9H,5-8,14H2,(H,15,17);1H
InChIKeyCVUXKHDOKRGKMD-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.22
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride

2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride (PubChem CID 119917633) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
PubChem CID119917633
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
SMILESCl.NC1CCN(CC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C12H16FN3O.ClH/c13-10-3-1-2-4-11(10)15-12(17)8-16-6-5-9(14)7-16;/h1-4,9H,5-8,14H2,(H,15,17);1H
InChIKeyCVUXKHDOKRGKMD-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119905456
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride (CID 119917633) is 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride is Cl.NC1CCN(CC(=O)Nc2ccccc2F)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride?
The InChIKey is CVUXKHDOKRGKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O.ClH/c13-10-3-1-2-4-11(10)15-12(17)8-16-6-5-9(14)7-16;/h1-4,9H,5-8,14H2,(H,15,17);1H.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride?
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).