2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

C16H20FN3O2 — CID 6500020

IUPAC2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H20FN3O2/c1-2-14(22-15-7-4-3-6-13(15)17)16(21)19-8-5-10-20-11-9-18-12-20/h3-4,6-7,9,11-12,14H,2,5,8,10H2,1H3,(H,19,21)
InChIKeyKHRNODKWMRNBCI-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.39
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 6500020) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID6500020
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H20FN3O2/c1-2-14(22-15-7-4-3-6-13(15)17)16(21)19-8-5-10-20-11-9-18-12-20/h3-4,6-7,9,11-12,14H,2,5,8,10H2,1H3,(H,19,21)
InChIKeyKHRNODKWMRNBCI-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
N-(3-imidazol-1-ylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4885534
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
4-[2-(1-Imidazolyl)ethoxy]phenoxyacetamide
CID 13569202
2-(4-Fluoro-phenoxy)-N-(3-imidazol-1-yl-propyl)-acetamide
CID 24793362
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 3979641
2-(4-cyanophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 4072698
2-(2-tert-Butyl-phenoxy)-N-(3-imidazol-1-yl-propyl)-acetamide
CID 6498888
2-(3,5-Dimethyl-phenoxy)-N-(3-imidazol-1-yl-propyl)-propionamide
CID 6498889
N-(3-Imidazol-1-yl-propyl)-2-(4-methoxy-phenoxy)-acetamide
CID 16682262

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide (CID 6500020) is 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide is CCC(Oc1ccccc1F)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is KHRNODKWMRNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-14(22-15-7-4-3-6-13(15)17)16(21)19-8-5-10-20-11-9-18-12-20/h3-4,6-7,9,11-12,14H,2,5,8,10H2,1H3,(H,19,21).
What are the key properties of 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide?
2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 305.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 6500020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).