N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide

C12H11NO3 — CID 162368609

IUPACN-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCC(=O)NCc1oc2ccccc2c1C=O
InChIInChI=1S/C12H11NO3/c1-8(15)13-6-12-10(7-14)9-4-2-3-5-11(9)16-12/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyUHVKECAVDJNZGC-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.88
Rot. Bonds3

About N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide

N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 162368609) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide
PubChem CID162368609
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC NameN-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCC(=O)NCc1oc2ccccc2c1C=O
InChIInChI=1S/C12H11NO3/c1-8(15)13-6-12-10(7-14)9-4-2-3-5-11(9)16-12/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyUHVKECAVDJNZGC-UHFFFAOYSA-N
XLogP1.88
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide?
The IUPAC name of N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide (CID 162368609) is N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide is CC(=O)NCc1oc2ccccc2c1C=O.
What is the InChIKey of N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide?
The InChIKey is UHVKECAVDJNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(15)13-6-12-10(7-14)9-4-2-3-5-11(9)16-12/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide?
N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 217.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-formyl-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 162368609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).