acetamide;hydrochloride

C2H6ClNO — CID 57417608

IUPACacetamide;hydrochloride
SMILESCC(N)=O.Cl
InChIInChI=1S/C2H5NO.ClH/c1-2(3)4;/h1H3,(H2,3,4);1H
InChIKeyAXJDEHNQPMZKOS-UHFFFAOYSA-N
MW95.53 g/mol
LogP-0.09
Rot. Bonds

About acetamide;hydrochloride

acetamide;hydrochloride (PubChem CID 57417608) has the molecular formula C2H6ClNO and a molecular weight of 95.53 g/mol. Its IUPAC name is acetamide;hydrochloride.

Molecular Properties

Compound Nameacetamide;hydrochloride
PubChem CID57417608
Molecular FormulaC2H6ClNO
Molecular Weight95.53 g/mol
Exact Mass95.01
IUPAC Nameacetamide;hydrochloride
SMILESCC(N)=O.Cl
InChIInChI=1S/C2H5NO.ClH/c1-2(3)4;/h1H3,(H2,3,4);1H
InChIKeyAXJDEHNQPMZKOS-UHFFFAOYSA-N
XLogP-0.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.53
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 acetamide;hydrochloride?
The IUPAC name of acetamide;hydrochloride (CID 57417608) is acetamide;hydrochloride.
What is the SMILES notation for acetamide;hydrochloride?
The canonical SMILES for acetamide;hydrochloride is CC(N)=O.Cl.
What is the InChIKey of acetamide;hydrochloride?
The InChIKey is AXJDEHNQPMZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.ClH/c1-2(3)4;/h1H3,(H2,3,4);1H.
What are the key properties of acetamide;hydrochloride?
acetamide;hydrochloride has a molecular weight of 95.53 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;hydrochloride is sourced from PubChem (CID 57417608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).