N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide

C21H17NO3 — CID 56673905

IUPACN-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1c(O)ccc2oc3ccccc3c12
InChIInChI=1S/C21H17NO3/c1-13(23)22-21(14-7-3-2-4-8-14)20-16(24)11-12-18-19(20)15-9-5-6-10-17(15)25-18/h2-12,21,24H,1H3,(H,22,23)
InChIKeyVDEGJEFQCGVAIH-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.52
Rot. Bonds3

About N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide

N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide (PubChem CID 56673905) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide
PubChem CID56673905
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1c(O)ccc2oc3ccccc3c12
InChIInChI=1S/C21H17NO3/c1-13(23)22-21(14-7-3-2-4-8-14)20-16(24)11-12-18-19(20)15-9-5-6-10-17(15)25-18/h2-12,21,24H,1H3,(H,22,23)
InChIKeyVDEGJEFQCGVAIH-UHFFFAOYSA-N
XLogP4.52
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide?
The IUPAC name of N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide (CID 56673905) is N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1c(O)ccc2oc3ccccc3c12.
What is the InChIKey of N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide?
The InChIKey is VDEGJEFQCGVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-13(23)22-21(14-7-3-2-4-8-14)20-16(24)11-12-18-19(20)15-9-5-6-10-17(15)25-18/h2-12,21,24H,1H3,(H,22,23).
What are the key properties of N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide?
N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 56673905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).