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

C20H19FN2O3 — CID 90330657

IUPACN-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-12(22-19(25)17-11-23(2)20(26)18(17)24)13-5-3-6-14(9-13)15-7-4-8-16(21)10-15/h3-10,12,24H,11H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyKLMUQZGRDYJZOT-GFCCVEGCSA-N
MW354.38 g/mol
LogP2.95
Rot. Bonds4

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

N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 90330657) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID90330657
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-12(22-19(25)17-11-23(2)20(26)18(17)24)13-5-3-6-14(9-13)15-7-4-8-16(21)10-15/h3-10,12,24H,11H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyKLMUQZGRDYJZOT-GFCCVEGCSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 90330657) is N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is KLMUQZGRDYJZOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12(22-19(25)17-11-23(2)20(26)18(17)24)13-5-3-6-14(9-13)15-7-4-8-16(21)10-15/h3-10,12,24H,11H2,1-2H3,(H,22,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).