2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride

C6H9Cl2N3O — CID 19973153

IUPAC2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nn1cccc1Cl
InChIInChI=1S/C6H8ClN3O.ClH/c7-5-2-1-3-10(5)9-6(11)4-8;/h1-3H,4,8H2,(H,9,11);1H
InChIKeyLYIUHJTXOKLBGP-UHFFFAOYSA-N
MW210.06 g/mol
LogP0.59
Rot. Bonds2

About 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride

2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride (PubChem CID 19973153) has the molecular formula C6H9Cl2N3O and a molecular weight of 210.06 g/mol. Its IUPAC name is 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride
PubChem CID19973153
Molecular FormulaC6H9Cl2N3O
Molecular Weight210.06 g/mol
Exact Mass209.01
IUPAC Name2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nn1cccc1Cl
InChIInChI=1S/C6H8ClN3O.ClH/c7-5-2-1-3-10(5)9-6(11)4-8;/h1-3H,4,8H2,(H,9,11);1H
InChIKeyLYIUHJTXOKLBGP-UHFFFAOYSA-N
XLogP0.59
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride (CID 19973153) is 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride is Cl.NCC(=O)Nn1cccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride?
The InChIKey is LYIUHJTXOKLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O.ClH/c7-5-2-1-3-10(5)9-6(11)4-8;/h1-3H,4,8H2,(H,9,11);1H.
What are the key properties of 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride?
2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride has a molecular weight of 210.06 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloropyrrol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 19973153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).