2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C25H20FN3O3 — CID 25347963

IUPAC2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1cccc(F)c1
InChIInChI=1S/C25H20FN3O3/c1-29-12-11-27-25(29)24(16-5-4-6-17(26)13-16)28-23(30)15-31-18-9-10-22-20(14-18)19-7-2-3-8-21(19)32-22/h2-14,24H,15H2,1H3,(H,28,30)/t24-/m0/s1
InChIKeyRTVDFOCZLJOWHE-DEOSSOPVSA-N
MW429.45 g/mol
LogP4.74
Rot. Bonds6

About 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25347963) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25347963
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1cccc(F)c1
InChIInChI=1S/C25H20FN3O3/c1-29-12-11-27-25(29)24(16-5-4-6-17(26)13-16)28-23(30)15-31-18-9-10-22-20(14-18)19-7-2-3-8-21(19)32-22/h2-14,24H,15H2,1H3,(H,28,30)/t24-/m0/s1
InChIKeyRTVDFOCZLJOWHE-DEOSSOPVSA-N
XLogP4.74
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705
2-(2-chloro-4-phenylphenoxy)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24625665
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
5-chloro-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25389631
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25347963) is 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1cccc(F)c1.
What is the InChIKey of 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is RTVDFOCZLJOWHE-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-29-12-11-27-25(29)24(16-5-4-6-17(26)13-16)28-23(30)15-31-18-9-10-22-20(14-18)19-7-2-3-8-21(19)32-22/h2-14,24H,15H2,1H3,(H,28,30)/t24-/m0/s1.
What are the key properties of 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 429.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yloxy-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25347963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).