4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide

C15H18FN3O2 — CID 63940806

IUPAC4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-19(11-14-17-8-9-18-14)15(20)3-2-10-21-13-6-4-12(16)5-7-13/h4-9H,2-3,10-11H2,1H3,(H,17,18)
InChIKeyIMHFOUUCUGHZPV-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.37
Rot. Bonds7

About 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide

4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (PubChem CID 63940806) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
PubChem CID63940806
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
SMILESCN(Cc1ncc[nH]1)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-19(11-14-17-8-9-18-14)15(20)3-2-10-21-13-6-4-12(16)5-7-13/h4-9H,2-3,10-11H2,1H3,(H,17,18)
InChIKeyIMHFOUUCUGHZPV-UHFFFAOYSA-N
XLogP2.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide (CID 63940806) is 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is CN(Cc1ncc[nH]1)C(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
The InChIKey is IMHFOUUCUGHZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-19(11-14-17-8-9-18-14)15(20)3-2-10-21-13-6-4-12(16)5-7-13/h4-9H,2-3,10-11H2,1H3,(H,17,18).
What are the key properties of 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide?
4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide has a molecular weight of 291.33 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide is sourced from PubChem (CID 63940806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).