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

C19H17FN2O3 — CID 54733174

IUPAC1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H17FN2O3/c20-15-8-6-13(7-9-15)10-21-18(24)16-12-22(19(25)17(16)23)11-14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,21,24)
InChIKeyWYJIXJFPLGPWKT-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.30
Rot. Bonds5

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

1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54733174) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54733174
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H17FN2O3/c20-15-8-6-13(7-9-15)10-21-18(24)16-12-22(19(25)17(16)23)11-14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,21,24)
InChIKeyWYJIXJFPLGPWKT-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 54733174) is 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is WYJIXJFPLGPWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-15-8-6-13(7-9-15)10-21-18(24)16-12-22(19(25)17(16)23)11-14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,21,24).
What are the key properties of 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).