2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride

C12H16Cl2FN3O — CID 119917629

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
SMILESCl.NC1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClFN3O.ClH/c13-10-5-9(1-2-11(10)14)16-12(18)7-17-4-3-8(15)6-17;/h1-2,5,8H,3-4,6-7,15H2,(H,16,18);1H
InChIKeyIFDFCYFXZOTITJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride

2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride (PubChem CID 119917629) has the molecular formula C12H16Cl2FN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
PubChem CID119917629
Molecular FormulaC12H16Cl2FN3O
Molecular Weight308.18 g/mol
Exact Mass307.07
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
SMILESCl.NC1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClFN3O.ClH/c13-10-5-9(1-2-11(10)14)16-12(18)7-17-4-3-8(15)6-17;/h1-2,5,8H,3-4,6-7,15H2,(H,16,18);1H
InChIKeyIFDFCYFXZOTITJ-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 103576696
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119933876
N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
CID 2040641
2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 79327970
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119905192

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride (CID 119917629) is 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride is Cl.NC1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride?
The InChIKey is IFDFCYFXZOTITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O.ClH/c13-10-5-9(1-2-11(10)14)16-12(18)7-17-4-3-8(15)6-17;/h1-2,5,8H,3-4,6-7,15H2,(H,16,18);1H.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride?
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride has a molecular weight of 308.18 g/mol, XLogP of 1.87, 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-(3-chloro-4-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119917629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).