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

C19H16N2O3 — CID 109046573

IUPAC1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H16N2O3/c22-18(20-13-17-7-4-12-24-17)14-8-10-15(11-9-14)19(23)21-16-5-2-1-3-6-16/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyXGYCEXXUVOYWGP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.46
Rot. Bonds5

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

1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109046573) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109046573
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H16N2O3/c22-18(20-13-17-7-4-12-24-17)14-8-10-15(11-9-14)19(23)21-16-5-2-1-3-6-16/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyXGYCEXXUVOYWGP-UHFFFAOYSA-N
XLogP3.46
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide (CID 109046573) is 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide is O=C(NCc1ccco1)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is XGYCEXXUVOYWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(20-13-17-7-4-12-24-17)14-8-10-15(11-9-14)19(23)21-16-5-2-1-3-6-16/h1-12H,13H2,(H,20,22)(H,21,23).
What are the key properties of 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109046573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).