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

C12H11Cl2N3O2 — CID 60967358

IUPAC2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(11(18)17-12-15-4-5-16-12)19-10-3-2-8(13)6-9(10)14/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyGLCIKAVAJAGSQG-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.12
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide (PubChem CID 60967358) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide
PubChem CID60967358
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(11(18)17-12-15-4-5-16-12)19-10-3-2-8(13)6-9(10)14/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyGLCIKAVAJAGSQG-UHFFFAOYSA-N
XLogP3.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 4097411
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 100647396
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 119033150
N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 60967211
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide (CID 60967358) is 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is GLCIKAVAJAGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-7(11(18)17-12-15-4-5-16-12)19-10-3-2-8(13)6-9(10)14/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 300.15 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 60967358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).