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

C20H19FN2O3 — CID 54733175

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1cccc(CN2CC(C(=O)NCc3ccc(F)cc3)=C(O)C2=O)c1
InChIInChI=1S/C20H19FN2O3/c1-13-3-2-4-15(9-13)11-23-12-17(18(24)20(23)26)19(25)22-10-14-5-7-16(21)8-6-14/h2-9,24H,10-12H2,1H3,(H,22,25)
InChIKeyVBABKYLQRJYLCP-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.60
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54733175) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54733175
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1cccc(CN2CC(C(=O)NCc3ccc(F)cc3)=C(O)C2=O)c1
InChIInChI=1S/C20H19FN2O3/c1-13-3-2-4-15(9-13)11-23-12-17(18(24)20(23)26)19(25)22-10-14-5-7-16(21)8-6-14/h2-9,24H,10-12H2,1H3,(H,22,25)
InChIKeyVBABKYLQRJYLCP-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 54733175) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide is Cc1cccc(CN2CC(C(=O)NCc3ccc(F)cc3)=C(O)C2=O)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is VBABKYLQRJYLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13-3-2-4-15(9-13)11-23-12-17(18(24)20(23)26)19(25)22-10-14-5-7-16(21)8-6-14/h2-9,24H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).