4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide

C20H17FN4O4 — CID 86910342

IUPAC4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C20H17FN4O4/c1-12-17(16(11-22)20(29-12)25-9-3-4-10-25)19(27)24-23-18(26)13(2)28-15-7-5-14(21)6-8-15/h3-10,13H,1-2H3,(H,23,26)(H,24,27)
InChIKeyGYFCKZNEABIDLD-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.62
Rot. Bonds5

About 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide

4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide (PubChem CID 86910342) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide.

Molecular Properties

Compound Name4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
PubChem CID86910342
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C20H17FN4O4/c1-12-17(16(11-22)20(29-12)25-9-3-4-10-25)19(27)24-23-18(26)13(2)28-15-7-5-14(21)6-8-15/h3-10,13H,1-2H3,(H,23,26)(H,24,27)
InChIKeyGYFCKZNEABIDLD-UHFFFAOYSA-N
XLogP2.62
TPSA109.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782706
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38536284
4-cyano-N-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 33283988
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782738
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782658
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 9064328
4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38406531
4-cyano-2-methyl-N-[4-(methylcarbamoylamino)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86918012
4-cyano-2-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-5-pyrrol-1-ylfuran-3-carboxamide
CID 75526314
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
The IUPAC name of 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide (CID 86910342) is 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide.
What is the SMILES notation for 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
The canonical SMILES for 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)NNC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
The InChIKey is GYFCKZNEABIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-12-17(16(11-22)20(29-12)25-9-3-4-10-25)19(27)24-23-18(26)13(2)28-15-7-5-14(21)6-8-15/h3-10,13H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide?
4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide has a molecular weight of 396.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-[2-(4-fluorophenoxy)propanoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide is sourced from PubChem (CID 86910342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).