N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide

C13H11NO4 — CID 12610990

IUPACN-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C=O)o2)cc1
InChIInChI=1S/C13H11NO4/c1-9(16)14-10-2-4-11(5-3-10)17-13-7-6-12(8-15)18-13/h2-8H,1H3,(H,14,16)
InChIKeyCYIRIQLTBFISJN-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.84
Rot. Bonds4

About N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide

N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide (PubChem CID 12610990) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide
PubChem CID12610990
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C=O)o2)cc1
InChIInChI=1S/C13H11NO4/c1-9(16)14-10-2-4-11(5-3-10)17-13-7-6-12(8-15)18-13/h2-8H,1H3,(H,14,16)
InChIKeyCYIRIQLTBFISJN-UHFFFAOYSA-N
XLogP2.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
(4-acetamidophenyl) 3-(5-iodofuran-2-yl)prop-2-enoate
CID 78779191
N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide
CID 99976275
phenoxybenzene;N-phenylacetamide
CID 174350344
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
5-(4-acetamidophenyl)-2-(5-formylfuran-2-yl)benzenesulfonic acid
CID 169334807
N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide
CID 101078575
bis(4-acetamidophenyl) propanedioate
CID 58435595
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide?
The IUPAC name of N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide (CID 12610990) is N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(C=O)o2)cc1.
What is the InChIKey of N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide?
The InChIKey is CYIRIQLTBFISJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-9(16)14-10-2-4-11(5-3-10)17-13-7-6-12(8-15)18-13/h2-8H,1H3,(H,14,16).
What are the key properties of N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide?
N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide has a molecular weight of 245.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide is sourced from PubChem (CID 12610990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).