N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

C14H21ClFN3O — CID 119928583

IUPACN-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1ccccc1F.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-16-9-11-5-4-8-18(11)10-14(19)17-13-7-3-2-6-12(13)15;/h2-3,6-7,11,16H,4-5,8-10H2,1H3,(H,17,19);1H
InChIKeyUXTHKSPAAYUPEE-UHFFFAOYSA-N
MW301.79 g/mol
LogP1.87
Rot. Bonds5

About N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119928583) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119928583
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC NameN-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1ccccc1F.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-16-9-11-5-4-8-18(11)10-14(19)17-13-7-3-2-6-12(13)15;/h2-3,6-7,11,16H,4-5,8-10H2,1H3,(H,17,19);1H
InChIKeyUXTHKSPAAYUPEE-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119928583) is N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is CNCC1CCCN1CC(=O)Nc1ccccc1F.Cl.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is UXTHKSPAAYUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.ClH/c1-16-9-11-5-4-8-18(11)10-14(19)17-13-7-3-2-6-12(13)15;/h2-3,6-7,11,16H,4-5,8-10H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 301.79 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119928583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).