4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

C13H12N2O3 — CID 27649984

IUPAC4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H12N2O3/c14-12(16)9-3-5-10(6-4-9)13(17)15-8-11-2-1-7-18-11/h1-7H,8H2,(H2,14,16)(H,15,17)
InChIKeyYSCLYJSNYJIMEF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.31
Rot. Bonds4

About 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 27649984) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID27649984
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H12N2O3/c14-12(16)9-3-5-10(6-4-9)13(17)15-8-11-2-1-7-18-11/h1-7H,8H2,(H2,14,16)(H,15,17)
InChIKeyYSCLYJSNYJIMEF-UHFFFAOYSA-N
XLogP1.31
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide 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

1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide
CID 169368032
[4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid;molecular hydrogen
CID 159533329
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
CID 56548373
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 27649984) is 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is YSCLYJSNYJIMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-12(16)9-3-5-10(6-4-9)13(17)15-8-11-2-1-7-18-11/h1-7H,8H2,(H2,14,16)(H,15,17).
What are the key properties of 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 27649984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).