2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride

C14H21ClFN3O — CID 119917364

IUPAC2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1F)C(=O)CN1CCC(N)C1.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-17(8-11-4-2-3-5-13(11)15)14(19)10-18-7-6-12(16)9-18;/h2-5,12H,6-10,16H2,1H3;1H
InChIKeyCMWXWBFWLQVEGJ-UHFFFAOYSA-N
MW301.79 g/mol
LogP1.24
Rot. Bonds4

About 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride

2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 119917364) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
PubChem CID119917364
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1F)C(=O)CN1CCC(N)C1.Cl
InChIInChI=1S/C14H20FN3O.ClH/c1-17(8-11-4-2-3-5-13(11)15)14(19)10-18-7-6-12(16)9-18;/h2-5,12H,6-10,16H2,1H3;1H
InChIKeyCMWXWBFWLQVEGJ-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
N-[(2-fluorophenyl)methyl]-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62654574
2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 114395074
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64980761
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride (CID 119917364) is 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1ccccc1F)C(=O)CN1CCC(N)C1.Cl.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is CMWXWBFWLQVEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.ClH/c1-17(8-11-4-2-3-5-13(11)15)14(19)10-18-7-6-12(16)9-18;/h2-5,12H,6-10,16H2,1H3;1H.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 301.79 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 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)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119917364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).