N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide

C14H16FN3O2 — CID 47415663

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-10(2)20-8-14(19)17-11-3-4-13(12(15)7-11)18-6-5-16-9-18/h3-7,9-10H,8H2,1-2H3,(H,17,19)
InChIKeyPFAOKFCZNSTSEI-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.37
Rot. Bonds5

About N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide (PubChem CID 47415663) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide
PubChem CID47415663
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-10(2)20-8-14(19)17-11-3-4-13(12(15)7-11)18-6-5-16-9-18/h3-7,9-10H,8H2,1-2H3,(H,17,19)
InChIKeyPFAOKFCZNSTSEI-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide (CID 47415663) is N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is PFAOKFCZNSTSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10(2)20-8-14(19)17-11-3-4-13(12(15)7-11)18-6-5-16-9-18/h3-7,9-10H,8H2,1-2H3,(H,17,19).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 277.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47415663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).