N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide

C6H11ClN2O2 — CID 43374085

IUPACN-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)CC(N)=O
InChIInChI=1S/C6H11ClN2O2/c1-4(7)6(11)9(2)3-5(8)10/h4H,3H2,1-2H3,(H2,8,10)
InChIKeyRIBPVFIIQCXAPF-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.44
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide

N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide (PubChem CID 43374085) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide
PubChem CID43374085
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC NameN-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)CC(N)=O
InChIInChI=1S/C6H11ClN2O2/c1-4(7)6(11)9(2)3-5(8)10/h4H,3H2,1-2H3,(H2,8,10)
InChIKeyRIBPVFIIQCXAPF-UHFFFAOYSA-N
XLogP-0.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide
CID 167098178
2-[2-Chloroethyl(2-chloropropyl)amino]acetamide
CID 59591
2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60949952
2-chloro-N-[2-(isopropylamino)-2-oxoethyl]-N-methylacetamide
CID 4962571
Acetamide, 2-[(chloroacetyl)amino]-N-methyl-
CID 9327080
2-chloro-N-[(dimethylcarbamoyl)methyl]acetamide
CID 9504015
N~1~,N~2~-Bis(2-chloropropyl)ethanediamide
CID 12344278
2-chloro-N-[2-(diethylamino)ethyl]propanamide
CID 16785220
alpha-CHLOROACETYLSARCOSINAMIDE
CID 19981542
N-(2-aminoethyl)-2-[(2-chloroacetyl)amino]acetamide
CID 20806745
2-[(2-chloroacetyl)-methylamino]-N-methylacetamide
CID 43216348
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375057

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide (CID 43374085) is N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide is CC(Cl)C(=O)N(C)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide?
The InChIKey is RIBPVFIIQCXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-4(7)6(11)9(2)3-5(8)10/h4H,3H2,1-2H3,(H2,8,10).
What are the key properties of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide?
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide has a molecular weight of 178.62 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-chloro-N-methylpropanamide is sourced from PubChem (CID 43374085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).