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

C21H21FN2O3 — CID 71593609

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O
InChIInChI=1S/C21H21FN2O3/c1-14-4-2-3-5-16(14)10-11-24-13-18(19(25)21(24)27)20(26)23-12-15-6-8-17(22)9-7-15/h2-9,25H,10-13H2,1H3,(H,23,26)
InChIKeySZDWKPQZBDWWEL-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.65
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 71593609) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID71593609
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O
InChIInChI=1S/C21H21FN2O3/c1-14-4-2-3-5-16(14)10-11-24-13-18(19(25)21(24)27)20(26)23-12-15-6-8-17(22)9-7-15/h2-9,25H,10-13H2,1H3,(H,23,26)
InChIKeySZDWKPQZBDWWEL-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 71593609) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide is Cc1ccccc1CCN1CC(C(=O)NCc2ccc(F)cc2)=C(O)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is SZDWKPQZBDWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14-4-2-3-5-16(14)10-11-24-13-18(19(25)21(24)27)20(26)23-12-15-6-8-17(22)9-7-15/h2-9,25H,10-13H2,1H3,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.65, 6 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-[2-(2-methylphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 71593609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).