N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide

C15H13NO3 — CID 87092130

IUPACN-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide
SMILESO=CNc1ccccc1C1COc2ccc(O)cc21
InChIInChI=1S/C15H13NO3/c17-9-16-14-4-2-1-3-11(14)13-8-19-15-6-5-10(18)7-12(13)15/h1-7,9,13,18H,8H2,(H,16,17)
InChIKeyLYUCKAORGDTSHR-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.48
Rot. Bonds3

About N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide

N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide (PubChem CID 87092130) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide
PubChem CID87092130
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide
SMILESO=CNc1ccccc1C1COc2ccc(O)cc21
InChIInChI=1S/C15H13NO3/c17-9-16-14-4-2-1-3-11(14)13-8-19-15-6-5-10(18)7-12(13)15/h1-7,9,13,18H,8H2,(H,16,17)
InChIKeyLYUCKAORGDTSHR-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide?
The IUPAC name of N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide (CID 87092130) is N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide.
What is the SMILES notation for N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide?
The canonical SMILES for N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide is O=CNc1ccccc1C1COc2ccc(O)cc21.
What is the InChIKey of N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide?
The InChIKey is LYUCKAORGDTSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-9-16-14-4-2-1-3-11(14)13-8-19-15-6-5-10(18)7-12(13)15/h1-7,9,13,18H,8H2,(H,16,17).
What are the key properties of N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide?
N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide has a molecular weight of 255.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide is sourced from PubChem (CID 87092130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).