4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C17H12FN3O2 — CID 8777019

IUPAC4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2/c1-11-15(16(22)20-13-6-4-12(18)5-7-13)14(10-19)17(23-11)21-8-2-3-9-21/h2-9H,1H3,(H,20,22)
InChIKeyLSVYCEHFGVRRCG-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.64
Rot. Bonds3

About 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 8777019) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID8777019
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2/c1-11-15(16(22)20-13-6-4-12(18)5-7-13)14(10-19)17(23-11)21-8-2-3-9-21/h2-9H,1H3,(H,20,22)
InChIKeyLSVYCEHFGVRRCG-UHFFFAOYSA-N
XLogP3.64
TPSA70.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 8777019) is 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is LSVYCEHFGVRRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-11-15(16(22)20-13-6-4-12(18)5-7-13)14(10-19)17(23-11)21-8-2-3-9-21/h2-9H,1H3,(H,20,22).
What are the key properties of 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-fluorophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 8777019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).