2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide

C9H14ClN3O — CID 66134051

IUPAC2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide
SMILESCCNC(=O)C(Cl)c1cncn1CC
InChIInChI=1S/C9H14ClN3O/c1-3-12-9(14)8(10)7-5-11-6-13(7)4-2/h5-6,8H,3-4H2,1-2H3,(H,12,14)
InChIKeySDZKZJGHJOJLMH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.32
Rot. Bonds4

About 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide

2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide (PubChem CID 66134051) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide
PubChem CID66134051
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide
SMILESCCNC(=O)C(Cl)c1cncn1CC
InChIInChI=1S/C9H14ClN3O/c1-3-12-9(14)8(10)7-5-11-6-13(7)4-2/h5-6,8H,3-4H2,1-2H3,(H,12,14)
InChIKeySDZKZJGHJOJLMH-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.32
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-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide
CID 66161732
2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
2-chloro-N-cyclohexyl-2-(3-propylimidazol-4-yl)acetamide
CID 66129560
2-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide
CID 130598772
2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66133106
3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
CID 66132745
2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 112671060
2-(3-ethylimidazol-4-yl)-2-(prop-2-enylamino)acetic acid
CID 66135347
2-chloro-2-(1,5-dimethylpyrazol-4-yl)-N-ethylacetamide
CID 79584700
1-(azepan-1-yl)-2-chloro-2-(3-propylimidazol-4-yl)ethanone
CID 66130362
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
CID 102969836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide (CID 66134051) is 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide is CCNC(=O)C(Cl)c1cncn1CC.
What is the InChIKey of 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide?
The InChIKey is SDZKZJGHJOJLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-12-9(14)8(10)7-5-11-6-13(7)4-2/h5-6,8H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide?
2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide has a molecular weight of 215.68 g/mol, XLogP of 1.32, 4 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-(3-ethylimidazol-4-yl)acetamide is sourced from PubChem (CID 66134051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).