2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride

C13H18ClF2N3O — CID 119917859

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2N3O.ClH/c14-10-1-2-11(15)12(5-10)17-13(19)8-18-4-3-9(6-16)7-18;/h1-2,5,9H,3-4,6-8,16H2,(H,17,19);1H
InChIKeyVQLMKKQWKHBSJU-UHFFFAOYSA-N
MW305.76 g/mol
LogP1.61
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride (PubChem CID 119917859) has the molecular formula C13H18ClF2N3O and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
PubChem CID119917859
Molecular FormulaC13H18ClF2N3O
Molecular Weight305.76 g/mol
Exact Mass305.11
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2N3O.ClH/c14-10-1-2-11(15)12(5-10)17-13(19)8-18-4-3-9(6-16)7-18;/h1-2,5,9H,3-4,6-8,16H2,(H,17,19);1H
InChIKeyVQLMKKQWKHBSJU-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119909893
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
N-(4-chloro-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371379
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride (CID 119917859) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride is Cl.NCC1CCN(CC(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride?
The InChIKey is VQLMKKQWKHBSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O.ClH/c14-10-1-2-11(15)12(5-10)17-13(19)8-18-4-3-9(6-16)7-18;/h1-2,5,9H,3-4,6-8,16H2,(H,17,19);1H.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).