2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide

C9H17ClN2O2 — CID 60693102

IUPAC2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-4-12(5-2)9(14)7-11(3)8(13)6-10/h4-7H2,1-3H3
InChIKeyZDDYFIWYXMKDBQ-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.55
Rot. Bonds5

About 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide

2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide (PubChem CID 60693102) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
PubChem CID60693102
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-4-12(5-2)9(14)7-11(3)8(13)6-10/h4-7H2,1-3H3
InChIKeyZDDYFIWYXMKDBQ-UHFFFAOYSA-N
XLogP0.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
2-[(2-chloroacetyl)-methylamino]acetamide
CID 19981542
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 132888355
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
3-cyclopentyl-N-[2-(diethylamino)-2-oxoethyl]-N-methylpropanamide
CID 86908098
N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847996
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide (CID 60693102) is 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is ZDDYFIWYXMKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-4-12(5-2)9(14)7-11(3)8(13)6-10/h4-7H2,1-3H3.
What are the key properties of 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide?
2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 220.70 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 60693102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).