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

C14H13NO3 — CID 169335277

IUPAC2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide
SMILESCNC(=O)c1cccc(C)c1-c1ccc(C=O)o1
InChIInChI=1S/C14H13NO3/c1-9-4-3-5-11(14(17)15-2)13(9)12-7-6-10(8-16)18-12/h3-8H,1-2H3,(H,15,17)
InChIKeyWATMULCPOAZUCZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.43
Rot. Bonds3

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

2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide (PubChem CID 169335277) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide
PubChem CID169335277
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide
SMILESCNC(=O)c1cccc(C)c1-c1ccc(C=O)o1
InChIInChI=1S/C14H13NO3/c1-9-4-3-5-11(14(17)15-2)13(9)12-7-6-10(8-16)18-12/h3-8H,1-2H3,(H,15,17)
InChIKeyWATMULCPOAZUCZ-UHFFFAOYSA-N
XLogP2.43
TPSA59.31 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide
CID 169332851
4-(5-formylfuran-2-yl)-3,5-dimethylbenzamide
CID 169333512
ethane;N,2,3-trimethylbenzamide
CID 178108869
N,2-dimethyl-3-(2-methylphenyl)benzamide
CID 154015357
ethyl 4-(5-formylfuran-2-yl)-3,5-diiodobenzoate
CID 169333618
3-fluoro-2-(furan-2-yl)-N-methylbenzamide
CID 168527432
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
CID 54586462
5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
CID 169334216
N,2-dimethylbenzamide;trifluoroborane
CID 174957672
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214
N,3-dimethyl-2-(methylideneamino)benzamide
CID 135267076

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide?
The IUPAC name of 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide (CID 169335277) is 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide is CNC(=O)c1cccc(C)c1-c1ccc(C=O)o1.
What is the InChIKey of 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide?
The InChIKey is WATMULCPOAZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-4-3-5-11(14(17)15-2)13(9)12-7-6-10(8-16)18-12/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide?
2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide has a molecular weight of 243.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide is sourced from PubChem (CID 169335277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).