N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C17H13F2NO4 — CID 26894768

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F2NO4/c18-17(19)23-11-7-5-10(6-8-11)20-15(21)9-14-12-3-1-2-4-13(12)16(22)24-14/h1-8,14,17H,9H2,(H,20,21)/t14-/m1/s1
InChIKeyIXTPAXPRVKSLKK-CQSZACIVSA-N
MW333.29 g/mol
LogP3.53
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 26894768) has the molecular formula C17H13F2NO4 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID26894768
Molecular FormulaC17H13F2NO4
Molecular Weight333.29 g/mol
Exact Mass333.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F2NO4/c18-17(19)23-11-7-5-10(6-8-11)20-15(21)9-14-12-3-1-2-4-13(12)16(22)24-14/h1-8,14,17H,9H2,(H,20,21)/t14-/m1/s1
InChIKeyIXTPAXPRVKSLKK-CQSZACIVSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8006005
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41297251
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 97016881
N-[(2R)-1-methoxypropan-2-yl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94796777
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 9391956
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8863756
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-[4-(difluoromethoxy)phenyl]-9H-xanthene-9-carboxamide
CID 7941261

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 26894768) is N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is IXTPAXPRVKSLKK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H13F2NO4/c18-17(19)23-11-7-5-10(6-8-11)20-15(21)9-14-12-3-1-2-4-13(12)16(22)24-14/h1-8,14,17H,9H2,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 333.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 26894768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).