2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide

C14H13NO3 — CID 169332033

IUPAC2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C14H13NO3/c1-15(2)14(17)12-6-4-3-5-11(12)13-8-7-10(9-16)18-13/h3-9H,1-2H3
InChIKeyILAHOFUMRHHDBX-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide

2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide (PubChem CID 169332033) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
PubChem CID169332033
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C14H13NO3/c1-15(2)14(17)12-6-4-3-5-11(12)13-8-7-10(9-16)18-13/h3-9H,1-2H3
InChIKeyILAHOFUMRHHDBX-UHFFFAOYSA-N
XLogP2.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646
2-methylpropyl 2-(5-formylfuran-2-yl)benzoate
CID 169331925
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 169335250
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332261
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide
CID 169335155
2-(2-chlorophenyl)-N,N-dimethylbenzamide
CID 175929167
5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
CID 169336137
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide (CID 169332033) is 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide?
The InChIKey is ILAHOFUMRHHDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-15(2)14(17)12-6-4-3-5-11(12)13-8-7-10(9-16)18-13/h3-9H,1-2H3.
What are the key properties of 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide?
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide has a molecular weight of 243.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 169332033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).