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

C24H16N2O2 — CID 1109697

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16N2O2/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)28-24(20)26-23(27)19-14-8-3-9-15-19/h1-15H,(H,26,27)
InChIKeyHTLBTPGUZSSSTE-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.74
Rot. Bonds4

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

N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide (PubChem CID 1109697) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)benzamide
PubChem CID1109697
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16N2O2/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)28-24(20)26-23(27)19-14-8-3-9-15-19/h1-15H,(H,26,27)
InChIKeyHTLBTPGUZSSSTE-UHFFFAOYSA-N
XLogP5.74
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide (CID 1109697) is N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide is N#Cc1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide?
The InChIKey is HTLBTPGUZSSSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)28-24(20)26-23(27)19-14-8-3-9-15-19/h1-15H,(H,26,27).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide has a molecular weight of 364.40 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)benzamide is sourced from PubChem (CID 1109697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).