N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide

C19H24FN3O5 — CID 54698213

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCON(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H24FN3O5/c1-27-23(12-14-2-4-15(20)5-3-14)18(25)16-13-22(19(26)17(16)24)7-6-21-8-10-28-11-9-21/h2-5,24H,6-13H2,1H3
InChIKeyBSOPWSCOTLQYLX-UHFFFAOYSA-N
MW393.42 g/mol
LogP0.70
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54698213) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54698213
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESCON(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H24FN3O5/c1-27-23(12-14-2-4-15(20)5-3-14)18(25)16-13-22(19(26)17(16)24)7-6-21-8-10-28-11-9-21/h2-5,24H,6-13H2,1H3
InChIKeyBSOPWSCOTLQYLX-UHFFFAOYSA-N
XLogP0.70
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide (CID 54698213) is N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide is CON(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is BSOPWSCOTLQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-27-23(12-14-2-4-15(20)5-3-14)18(25)16-13-22(19(26)17(16)24)7-6-21-8-10-28-11-9-21/h2-5,24H,6-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54698213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).