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

C21H21FN2O4 — CID 54733176

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCOc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O
InChIInChI=1S/C21H21FN2O4/c1-28-18-5-3-2-4-15(18)10-11-24-13-17(19(25)21(24)27)20(26)23-12-14-6-8-16(22)9-7-14/h2-9,25H,10-13H2,1H3,(H,23,26)
InChIKeyCBTMLQQUKGUWIY-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.35
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54733176) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54733176
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCOc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O
InChIInChI=1S/C21H21FN2O4/c1-28-18-5-3-2-4-15(18)10-11-24-13-17(19(25)21(24)27)20(26)23-12-14-6-8-16(22)9-7-14/h2-9,25H,10-13H2,1H3,(H,23,26)
InChIKeyCBTMLQQUKGUWIY-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 54733176) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide is COc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is CBTMLQQUKGUWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-28-18-5-3-2-4-15(18)10-11-24-13-17(19(25)21(24)27)20(26)23-12-14-6-8-16(22)9-7-14/h2-9,25H,10-13H2,1H3,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).