N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C19H17FN2O4 — CID 90330515

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)=C(O)C1=O
InChIInChI=1S/C19H17FN2O4/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-2-6-14(7-3-12)26-15-8-4-13(20)5-9-15/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyWQDGXNQDSQPULS-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.52
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330515) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330515
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)=C(O)C1=O
InChIInChI=1S/C19H17FN2O4/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-2-6-14(7-3-12)26-15-8-4-13(20)5-9-15/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyWQDGXNQDSQPULS-UHFFFAOYSA-N
XLogP2.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330515) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)=C(O)C1=O.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is WQDGXNQDSQPULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-2-6-14(7-3-12)26-15-8-4-13(20)5-9-15/h2-9,23H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).