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

C14H16FN3O2 — CID 47101279

IUPAC2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(COc1cccc(F)c1)NCCCn1ccnc1
InChIInChI=1S/C14H16FN3O2/c15-12-3-1-4-13(9-12)20-10-14(19)17-5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,17,19)
InChIKeySEASSIOPBAELHJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.61
Rot. Bonds7

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

2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 47101279) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID47101279
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(COc1cccc(F)c1)NCCCn1ccnc1
InChIInChI=1S/C14H16FN3O2/c15-12-3-1-4-13(9-12)20-10-14(19)17-5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,17,19)
InChIKeySEASSIOPBAELHJ-UHFFFAOYSA-N
XLogP1.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.61
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

2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(3-fluorophenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719295
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(3-imidazol-1-ylpropyl)thiourea
CID 73351094

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (CID 47101279) is 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is O=C(COc1cccc(F)c1)NCCCn1ccnc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is SEASSIOPBAELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-12-3-1-4-13(9-12)20-10-14(19)17-5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,17,19).
What are the key properties of 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 47101279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).