4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide

C19H16FN3O2 — CID 46474432

IUPAC4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c1-13-17(16(11-21)19(25-13)23-9-3-4-10-23)18(24)22(2)12-14-5-7-15(20)8-6-14/h3-10H,12H2,1-2H3
InChIKeyCHUSFLMCZKAJJD-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.66
Rot. Bonds4

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

4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 46474432) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID46474432
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c1-13-17(16(11-21)19(25-13)23-9-3-4-10-23)18(24)22(2)12-14-5-7-15(20)8-6-14/h3-10H,12H2,1-2H3
InChIKeyCHUSFLMCZKAJJD-UHFFFAOYSA-N
XLogP3.66
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
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)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 46474432) is 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is CHUSFLMCZKAJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-13-17(16(11-21)19(25-13)23-9-3-4-10-23)18(24)22(2)12-14-5-7-15(20)8-6-14/h3-10H,12H2,1-2H3.
What are the key properties of 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 46474432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).