2-[(2-chloroacetyl)-methylamino]acetamide

C5H9ClN2O2 — CID 19981542

IUPAC2-[(2-chloroacetyl)-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c1-8(3-4(7)9)5(10)2-6/h2-3H2,1H3,(H2,7,9)
InChIKeyUJPDOTQYWSVMJB-UHFFFAOYSA-N
MW164.59 g/mol
LogP-0.83
Rot. Bonds3

About 2-[(2-chloroacetyl)-methylamino]acetamide

2-[(2-chloroacetyl)-methylamino]acetamide (PubChem CID 19981542) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-methylamino]acetamide
PubChem CID19981542
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name2-[(2-chloroacetyl)-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c1-8(3-4(7)9)5(10)2-6/h2-3H2,1H3,(H2,7,9)
InChIKeyUJPDOTQYWSVMJB-UHFFFAOYSA-N
XLogP-0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(bis(2-chloroethyl)amino)-
CID 200666
4-(2-Chloroacetyl)piperazin-2-one
CID 11332798
N-tert-butyl-2-(2-chloro-N-ethylacetamido)acetamide
CID 2113270
Acetamide, 2-(bis(2-chloroethyl)amino)-, hydrochloride (1:1)
CID 200737
Chloracetylglycinamid
CID 28605345
N,N'-Bis(2-chloroethyl)oxamide
CID 256649
N'-bis(chloroacetyl)ethylenediamine
CID 88689561
2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60812594
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide
CID 166334668
2-chloro-2-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 167818252
2-chloro-N-[2-(isopropylamino)-2-oxoethyl]-N-methylacetamide
CID 4962571
N-tert-butyl-2-(2-chloro-N-methylacetamido)acetamide
CID 16226901

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-methylamino]acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-methylamino]acetamide (CID 19981542) is 2-[(2-chloroacetyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-methylamino]acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-methylamino]acetamide is CN(CC(N)=O)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-methylamino]acetamide?
The InChIKey is UJPDOTQYWSVMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O2/c1-8(3-4(7)9)5(10)2-6/h2-3H2,1H3,(H2,7,9).
What are the key properties of 2-[(2-chloroacetyl)-methylamino]acetamide?
2-[(2-chloroacetyl)-methylamino]acetamide has a molecular weight of 164.59 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-methylamino]acetamide is sourced from PubChem (CID 19981542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).