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

C19H17FN2O3 — CID 90330568

IUPACN-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3ccccc3F)c2)=C(O)C1=O
InChIInChI=1S/C19H17FN2O3/c1-22-11-15(17(23)19(22)25)18(24)21-10-12-5-4-6-13(9-12)14-7-2-3-8-16(14)20/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyRLZUGVLUSKPAJV-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.39
Rot. Bonds4

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

N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330568) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330568
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(-c3ccccc3F)c2)=C(O)C1=O
InChIInChI=1S/C19H17FN2O3/c1-22-11-15(17(23)19(22)25)18(24)21-10-12-5-4-6-13(9-12)14-7-2-3-8-16(14)20/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyRLZUGVLUSKPAJV-UHFFFAOYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330568) is N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2cccc(-c3ccccc3F)c2)=C(O)C1=O.
What is the InChIKey of N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is RLZUGVLUSKPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-11-15(17(23)19(22)25)18(24)21-10-12-5-4-6-13(9-12)14-7-2-3-8-16(14)20/h2-9,23H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).