1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide

C18H16N2O4 — CID 743261

IUPAC1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H16N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyHAWCEPIYINSJTA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.73
Rot. Bonds6

About 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 743261) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID743261
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H16N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyHAWCEPIYINSJTA-UHFFFAOYSA-N
XLogP2.73
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 743261) is 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCc1ccco1)c1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is HAWCEPIYINSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 743261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).