4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide

C14H13NO3 — CID 169333512

IUPAC4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1-c1ccc(C=O)o1
InChIInChI=1S/C14H13NO3/c1-8-5-10(14(15)17)6-9(2)13(8)12-4-3-11(7-16)18-12/h3-7H,1-2H3,(H2,15,17)
InChIKeyMMGCREYXDKMMNJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.47
Rot. Bonds3

About 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide

4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide (PubChem CID 169333512) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide
PubChem CID169333512
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1-c1ccc(C=O)o1
InChIInChI=1S/C14H13NO3/c1-8-5-10(14(15)17)6-9(2)13(8)12-4-3-11(7-16)18-12/h3-7H,1-2H3,(H2,15,17)
InChIKeyMMGCREYXDKMMNJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,6-dimethyl-4-nitrophenyl)furan-2-carbaldehyde
CID 169332404
2-bromo-3-fluoro-6-(5-formylfuran-2-yl)-5-methylbenzoic acid
CID 169335911
2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide
CID 169335277
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
CID 169335091
3,6-difluoro-2-(5-formylfuran-2-yl)benzoic acid
CID 169335611
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
4-[2-(5-formylfuran-2-yl)phenoxy]benzamide
CID 169335395
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide (CID 169333512) is 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1-c1ccc(C=O)o1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide?
The InChIKey is MMGCREYXDKMMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-5-10(14(15)17)6-9(2)13(8)12-4-3-11(7-16)18-12/h3-7H,1-2H3,(H2,15,17).
What are the key properties of 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide?
4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide has a molecular weight of 243.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 169333512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).