2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile

C18H12N2O2 — CID 139846100

IUPAC2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile
SMILESN#Cc1c(N)oc(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C18H12N2O2/c19-11-14-15(16(21)12-7-3-1-4-8-12)17(22-18(14)20)13-9-5-2-6-10-13/h1-10H,20H2
InChIKeyMHSCVNSTIGHEGB-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.63
Rot. Bonds3

About 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile

2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile (PubChem CID 139846100) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile
PubChem CID139846100
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile
SMILESN#Cc1c(N)oc(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C18H12N2O2/c19-11-14-15(16(21)12-7-3-1-4-8-12)17(22-18(14)20)13-9-5-2-6-10-13/h1-10H,20H2
InChIKeyMHSCVNSTIGHEGB-UHFFFAOYSA-N
XLogP3.63
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile (CID 139846100) is 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile is N#Cc1c(N)oc(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile?
The InChIKey is MHSCVNSTIGHEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-11-14-15(16(21)12-7-3-1-4-8-12)17(22-18(14)20)13-9-5-2-6-10-13/h1-10H,20H2.
What are the key properties of 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile?
2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzoyl-5-phenylfuran-3-carbonitrile is sourced from PubChem (CID 139846100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).