N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide

C26H20N2O4 — CID 1112348

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC
InChIInChI=1S/C26H20N2O4/c1-30-21-14-13-19(15-22(21)31-2)25(29)28-26-20(16-27)23(17-9-5-3-6-10-17)24(32-26)18-11-7-4-8-12-18/h3-15H,1-2H3,(H,28,29)
InChIKeyNMPDXYBFWKGUIG-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.75
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide (PubChem CID 1112348) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide
PubChem CID1112348
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC
InChIInChI=1S/C26H20N2O4/c1-30-21-14-13-19(15-22(21)31-2)25(29)28-26-20(16-27)23(17-9-5-3-6-10-17)24(32-26)18-11-7-4-8-12-18/h3-15H,1-2H3,(H,28,29)
InChIKeyNMPDXYBFWKGUIG-UHFFFAOYSA-N
XLogP5.75
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide (CID 1112348) is N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is NMPDXYBFWKGUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-30-21-14-13-19(15-22(21)31-2)25(29)28-26-20(16-27)23(17-9-5-3-6-10-17)24(32-26)18-11-7-4-8-12-18/h3-15H,1-2H3,(H,28,29).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 424.46 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 1112348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).