2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride

C14H16Cl3N3O2 — CID 6603441

IUPAC2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3O2.ClH/c15-11-2-3-13(12(16)8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19;/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20);1H
InChIKeyLVSJFQFAJAXMOJ-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.20
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride

2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (PubChem CID 6603441) has the molecular formula C14H16Cl3N3O2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
PubChem CID6603441
Molecular FormulaC14H16Cl3N3O2
Molecular Weight364.66 g/mol
Exact Mass363.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1Cl)NCCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3O2.ClH/c15-11-2-3-13(12(16)8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19;/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20);1H
InChIKeyLVSJFQFAJAXMOJ-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Prochloraz
CID 73665
Interferon Alfa-2B
CID 71306834
2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
1-[3-(2-chlorophenoxy)propyl]-1H-imidazole
CID 2843672
Cambridge id 6865961
CID 2804749
1-[2-(2-Chloro-phenoxy)-ethyl]-2-methyl-1H-imidazole
CID 1111665
1-(2,4-Dichloro-phenoxy)-3-(2-methyl-imidazol-1-yl)-propan-2-ol
CID 3152396
2-(4-chlorophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 17579887
4-(2,4-dichlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 2842888
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]-2-methylpropanamide
CID 645577
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 6618778
2-(4-Fluoro-phenoxy)-N-(3-imidazol-1-yl-propyl)-acetamide
CID 24793362

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (CID 6603441) is 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1Cl)NCCCn1ccnc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is LVSJFQFAJAXMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2.ClH/c15-11-2-3-13(12(16)8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19;/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20);1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 364.66 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 6603441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).