2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide

C17H17NO4 — CID 169333386

IUPAC2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=Cc1ccc(-c2ccccc2C(=O)NCC2CCCO2)o1
InChIInChI=1S/C17H17NO4/c19-11-13-7-8-16(22-13)14-5-1-2-6-15(14)17(20)18-10-12-4-3-9-21-12/h1-2,5-8,11-12H,3-4,9-10H2,(H,18,20)
InChIKeyZERFECHECQHFEL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.67
Rot. Bonds5

About 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide

2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 169333386) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID169333386
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=Cc1ccc(-c2ccccc2C(=O)NCC2CCCO2)o1
InChIInChI=1S/C17H17NO4/c19-11-13-7-8-16(22-13)14-5-1-2-6-15(14)17(20)18-10-12-4-3-9-21-12/h1-2,5-8,11-12H,3-4,9-10H2,(H,18,20)
InChIKeyZERFECHECQHFEL-UHFFFAOYSA-N
XLogP2.67
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.67
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-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 6927860
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2873599
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387177

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide (CID 169333386) is 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide is O=Cc1ccc(-c2ccccc2C(=O)NCC2CCCO2)o1.
What is the InChIKey of 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is ZERFECHECQHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-11-13-7-8-16(22-13)14-5-1-2-6-15(14)17(20)18-10-12-4-3-9-21-12/h1-2,5-8,11-12H,3-4,9-10H2,(H,18,20).
What are the key properties of 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide?
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 169333386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).