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

C25H18N2O3 — CID 1204057

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H18N2O3/c1-29-20-14-12-19(13-15-20)24(28)27-25-21(16-26)22(17-8-4-2-5-9-17)23(30-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28)
InChIKeyZSHRQTMHUDGULD-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.75
Rot. Bonds5

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

N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide (PubChem CID 1204057) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide
PubChem CID1204057
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H18N2O3/c1-29-20-14-12-19(13-15-20)24(28)27-25-21(16-26)22(17-8-4-2-5-9-17)23(30-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28)
InChIKeyZSHRQTMHUDGULD-UHFFFAOYSA-N
XLogP5.75
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide (CID 1204057) is N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide?
The InChIKey is ZSHRQTMHUDGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-20-14-12-19(13-15-20)24(28)27-25-21(16-26)22(17-8-4-2-5-9-17)23(30-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide has a molecular weight of 394.43 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 1204057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).