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

C18H14FN3O3 — CID 33283988

IUPAC4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C18H14FN3O3/c1-11-16(13(10-20)18(25-11)22-7-3-4-8-22)17(23)21-14-6-5-12(19)9-15(14)24-2/h3-9H,1-2H3,(H,21,23)
InChIKeyDNWHVVJIJUZWCE-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.65
Rot. Bonds4

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

4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 33283988) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID33283988
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C18H14FN3O3/c1-11-16(13(10-20)18(25-11)22-7-3-4-8-22)17(23)21-14-6-5-12(19)9-15(14)24-2/h3-9H,1-2H3,(H,21,23)
InChIKeyDNWHVVJIJUZWCE-UHFFFAOYSA-N
XLogP3.65
TPSA80.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782591
4-cyano-N-(2-fluoro-5-nitrophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 78809058
4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 86910342
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38536284
4-cyano-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46438175
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 46822423
4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 28536647
N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 104848980
4-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46474432
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile
CID 39965502
4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 8797035
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782524

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 33283988) is 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is COc1cc(F)ccc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N.
What is the InChIKey of 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is DNWHVVJIJUZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-11-16(13(10-20)18(25-11)22-7-3-4-8-22)17(23)21-14-6-5-12(19)9-15(14)24-2/h3-9H,1-2H3,(H,21,23).
What are the key properties of 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 33283988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).