2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride

C13H19Cl2N3O — CID 119918098

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O.ClH/c14-11-2-1-3-12(6-11)16-13(18)9-17-5-4-10(7-15)8-17;/h1-3,6,10H,4-5,7-9,15H2,(H,16,18);1H
InChIKeyJRIQBWHPMVVTKE-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.98
Rot. Bonds4

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

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride (PubChem CID 119918098) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
PubChem CID119918098
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O.ClH/c14-11-2-1-3-12(6-11)16-13(18)9-17-5-4-10(7-15)8-17;/h1-3,6,10H,4-5,7-9,15H2,(H,16,18);1H
InChIKeyJRIQBWHPMVVTKE-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119915580
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride (CID 119918098) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride is Cl.NCC1CCN(CC(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
The InChIKey is JRIQBWHPMVVTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O.ClH/c14-11-2-1-3-12(6-11)16-13(18)9-17-5-4-10(7-15)8-17;/h1-3,6,10H,4-5,7-9,15H2,(H,16,18);1H.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 1.98, 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-(3-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119918098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).