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

C20H18F2N2O3 — CID 54698241

IUPACN,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)=C(O)C1=O
InChIInChI=1S/C20H18F2N2O3/c1-23-12-17(18(25)20(23)27)19(26)24(10-13-2-6-15(21)7-3-13)11-14-4-8-16(22)9-5-14/h2-9,25H,10-12H2,1H3
InChIKeyDTPOJASENGLXDI-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.78
Rot. Bonds5

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

N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54698241) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54698241
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC NameN,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)=C(O)C1=O
InChIInChI=1S/C20H18F2N2O3/c1-23-12-17(18(25)20(23)27)19(26)24(10-13-2-6-15(21)7-3-13)11-14-4-8-16(22)9-5-14/h2-9,25H,10-12H2,1H3
InChIKeyDTPOJASENGLXDI-UHFFFAOYSA-N
XLogP2.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 54698241) is N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)=C(O)C1=O.
What is the InChIKey of N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is DTPOJASENGLXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-23-12-17(18(25)20(23)27)19(26)24(10-13-2-6-15(21)7-3-13)11-14-4-8-16(22)9-5-14/h2-9,25H,10-12H2,1H3.
What are the key properties of N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54698241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).