2-chloro-N-methylacetamide;methanamine

C4H11ClN2O — CID 162214165

IUPAC2-chloro-N-methylacetamide;methanamine
SMILESCN.CNC(=O)CCl
InChIInChI=1S/C3H6ClNO.CH5N/c1-5-3(6)2-4;1-2/h2H2,1H3,(H,5,6);2H2,1H3
InChIKeyZTGBPHKCEQPLFZ-UHFFFAOYSA-N
MW138.60 g/mol
LogP-0.45
Rot. Bonds1

About 2-chloro-N-methylacetamide;methanamine

2-chloro-N-methylacetamide;methanamine (PubChem CID 162214165) has the molecular formula C4H11ClN2O and a molecular weight of 138.60 g/mol. Its IUPAC name is 2-chloro-N-methylacetamide;methanamine.

Molecular Properties

Compound Name2-chloro-N-methylacetamide;methanamine
PubChem CID162214165
Molecular FormulaC4H11ClN2O
Molecular Weight138.60 g/mol
Exact Mass138.06
IUPAC Name2-chloro-N-methylacetamide;methanamine
SMILESCN.CNC(=O)CCl
InChIInChI=1S/C3H6ClNO.CH5N/c1-5-3(6)2-4;1-2/h2H2,1H3,(H,5,6);2H2,1H3
InChIKeyZTGBPHKCEQPLFZ-UHFFFAOYSA-N
XLogP-0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-2-chloroacetamide
CID 2366697
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
2-chloro-N',N'-dimethylacetohydrazide
CID 12559346
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
N-methyl-2-(methylamino)acetamide
CID 2463138
N-methylpropanamide;propane
CID 91316585
methanamine;N-methylpent-4-ynamide
CID 160899629
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
CID 20554727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylacetamide;methanamine?
The IUPAC name of 2-chloro-N-methylacetamide;methanamine (CID 162214165) is 2-chloro-N-methylacetamide;methanamine.
What is the SMILES notation for 2-chloro-N-methylacetamide;methanamine?
The canonical SMILES for 2-chloro-N-methylacetamide;methanamine is CN.CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-methylacetamide;methanamine?
The InChIKey is ZTGBPHKCEQPLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO.CH5N/c1-5-3(6)2-4;1-2/h2H2,1H3,(H,5,6);2H2,1H3.
What are the key properties of 2-chloro-N-methylacetamide;methanamine?
2-chloro-N-methylacetamide;methanamine has a molecular weight of 138.60 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylacetamide;methanamine is sourced from PubChem (CID 162214165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).