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

C14H17ClFN3O2 — CID 24793362

IUPAC2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1)NCCCn1ccnc1
InChIInChI=1S/C14H16FN3O2.ClH/c15-12-2-4-13(5-3-12)20-10-14(19)17-6-1-8-18-9-7-16-11-18;/h2-5,7,9,11H,1,6,8,10H2,(H,17,19);1H
InChIKeyIYKYSCFEUSZTRQ-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.03
Rot. Bonds7

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

2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (PubChem CID 24793362) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
PubChem CID24793362
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1)NCCCn1ccnc1
InChIInChI=1S/C14H16FN3O2.ClH/c15-12-2-4-13(5-3-12)20-10-14(19)17-6-1-8-18-9-7-16-11-18;/h2-5,7,9,11H,1,6,8,10H2,(H,17,19);1H
InChIKeyIYKYSCFEUSZTRQ-UHFFFAOYSA-N
XLogP2.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.03
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

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4885534
2-(2-fluorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 6500020
N-(2-(1H-imidazol-4-yl)ethyl)-2-phenoxyacetamide
CID 10037511
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
Ethyl 4-[2-(1-imidazolyl)ethoxy]phenoxyacetate
CID 13569180
4-[2-(1-Imidazolyl)ethoxy]phenoxyacetamide
CID 13569202
1-[2-(4-ethoxyphenoxy)ethyl]-1H-imidazole
CID 803901
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 3979641

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (CID 24793362) is 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(F)cc1)NCCCn1ccnc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is IYKYSCFEUSZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2.ClH/c15-12-2-4-13(5-3-12)20-10-14(19)17-6-1-8-18-9-7-16-11-18;/h2-5,7,9,11H,1,6,8,10H2,(H,17,19);1H.
What are the key properties of 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?
2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 313.76 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 24793362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).