2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide

C8H12ClN3O — CID 130598772

IUPAC2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide
SMILESCCNC(=O)C(Cl)c1cn(C)cn1
InChIInChI=1S/C8H12ClN3O/c1-3-10-8(13)7(9)6-4-12(2)5-11-6/h4-5,7H,3H2,1-2H3,(H,10,13)
InChIKeyACNUEPNPKNFKHT-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.84
Rot. Bonds3

About 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide

2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide (PubChem CID 130598772) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide
PubChem CID130598772
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide
SMILESCCNC(=O)C(Cl)c1cn(C)cn1
InChIInChI=1S/C8H12ClN3O/c1-3-10-8(13)7(9)6-4-12(2)5-11-6/h4-5,7H,3H2,1-2H3,(H,10,13)
InChIKeyACNUEPNPKNFKHT-UHFFFAOYSA-N
XLogP0.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 112671060
4-(1-chloropropyl)-1-methylimidazole
CID 130509834
2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide
CID 66134051
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
2-chloro-2-(1,5-dimethylpyrazol-4-yl)-N-ethylacetamide
CID 79584700
4-(1-chloro-3-methylbutyl)-1-methylimidazole
CID 130509832
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine
CID 107975897
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide
CID 66161732
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide (CID 130598772) is 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide is CCNC(=O)C(Cl)c1cn(C)cn1.
What is the InChIKey of 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide?
The InChIKey is ACNUEPNPKNFKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-3-10-8(13)7(9)6-4-12(2)5-11-6/h4-5,7H,3H2,1-2H3,(H,10,13).
What are the key properties of 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide?
2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide has a molecular weight of 201.66 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 130598772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).