[4-(1-benzofuran-2-carbonylamino)phenyl] acetate

C17H13NO4 — CID 6457571

IUPAC[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H13NO4/c1-11(19)21-14-8-6-13(7-9-14)18-17(20)16-10-12-4-2-3-5-15(12)22-16/h2-10H,1H3,(H,18,20)
InChIKeyVUSJHPWLCQSMRY-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.61
Rot. Bonds3

About [4-(1-benzofuran-2-carbonylamino)phenyl] acetate

[4-(1-benzofuran-2-carbonylamino)phenyl] acetate (PubChem CID 6457571) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is [4-(1-benzofuran-2-carbonylamino)phenyl] acetate.

Molecular Properties

Compound Name[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
PubChem CID6457571
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H13NO4/c1-11(19)21-14-8-6-13(7-9-14)18-17(20)16-10-12-4-2-3-5-15(12)22-16/h2-10H,1H3,(H,18,20)
InChIKeyVUSJHPWLCQSMRY-UHFFFAOYSA-N
XLogP3.61
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-1-benzofuran
CID 146097133
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate
CID 17360430
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
CID 91260047
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-carbonylamino)phenyl] acetate?
The IUPAC name of [4-(1-benzofuran-2-carbonylamino)phenyl] acetate (CID 6457571) is [4-(1-benzofuran-2-carbonylamino)phenyl] acetate.
What is the SMILES notation for [4-(1-benzofuran-2-carbonylamino)phenyl] acetate?
The canonical SMILES for [4-(1-benzofuran-2-carbonylamino)phenyl] acetate is CC(=O)Oc1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [4-(1-benzofuran-2-carbonylamino)phenyl] acetate?
The InChIKey is VUSJHPWLCQSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-11(19)21-14-8-6-13(7-9-14)18-17(20)16-10-12-4-2-3-5-15(12)22-16/h2-10H,1H3,(H,18,20).
What are the key properties of [4-(1-benzofuran-2-carbonylamino)phenyl] acetate?
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate has a molecular weight of 295.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-carbonylamino)phenyl] acetate is sourced from PubChem (CID 6457571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).