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

C13H18ClF2N3O — CID 119926972

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2N3O.ClH/c14-9-4-10(15)6-11(5-9)17-13(19)8-18-3-1-2-12(18)7-16;/h4-6,12H,1-3,7-8,16H2,(H,17,19);1H
InChIKeyNQPGBHPMZVMETC-UHFFFAOYSA-N
MW305.76 g/mol
LogP1.75
Rot. Bonds4

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride (PubChem CID 119926972) has the molecular formula C13H18ClF2N3O and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
PubChem CID119926972
Molecular FormulaC13H18ClF2N3O
Molecular Weight305.76 g/mol
Exact Mass305.11
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2N3O.ClH/c14-9-4-10(15)6-11(5-9)17-13(19)8-18-3-1-2-12(18)7-16;/h4-6,12H,1-3,7-8,16H2,(H,17,19);1H
InChIKeyNQPGBHPMZVMETC-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 103442124
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 81490451
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
2-(4-aminopiperidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 43556684
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride (CID 119926972) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride is Cl.NCC1CCCN1CC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride?
The InChIKey is NQPGBHPMZVMETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O.ClH/c14-9-4-10(15)6-11(5-9)17-13(19)8-18-3-1-2-12(18)7-16;/h4-6,12H,1-3,7-8,16H2,(H,17,19);1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119926972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).