2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide

C11H9Cl2N3O2 — CID 60968109

IUPAC2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Nc1ncc[nH]1
InChIInChI=1S/C11H9Cl2N3O2/c12-8-2-1-7(5-9(8)13)18-6-10(17)16-11-14-3-4-15-11/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyPGEAHEBJBDZUFX-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.73
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide

2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 60968109) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide
PubChem CID60968109
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)Nc1ncc[nH]1
InChIInChI=1S/C11H9Cl2N3O2/c12-8-2-1-7(5-9(8)13)18-6-10(17)16-11-14-3-4-15-11/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyPGEAHEBJBDZUFX-UHFFFAOYSA-N
XLogP2.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 63563880
2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 55027884
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60967966
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 37001376
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999929
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide (CID 60968109) is 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide is O=C(COc1ccc(Cl)c(Cl)c1)Nc1ncc[nH]1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is PGEAHEBJBDZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c12-8-2-1-7(5-9(8)13)18-6-10(17)16-11-14-3-4-15-11/h1-5H,6H2,(H2,14,15,16,17).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 286.12 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 60968109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).