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

C19H17FN2O3 — CID 54733180

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide
SMILESCN1C(=O)C(O)=C(C(=O)NCc2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-22-16(13-5-3-2-4-6-13)15(17(23)19(22)25)18(24)21-11-12-7-9-14(20)10-8-12/h2-10,16,23H,11H2,1H3,(H,21,24)
InChIKeyUYCSYTRZTJNYPC-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.47
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide (PubChem CID 54733180) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide
PubChem CID54733180
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide
SMILESCN1C(=O)C(O)=C(C(=O)NCc2ccc(F)cc2)C1c1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-22-16(13-5-3-2-4-6-13)15(17(23)19(22)25)18(24)21-11-12-7-9-14(20)10-8-12/h2-10,16,23H,11H2,1H3,(H,21,24)
InChIKeyUYCSYTRZTJNYPC-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
4-acetyl-1-benzyl-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2891204
1-benzyl-4-(2,2-dimethylpropanoyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 4149556
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
Pyrrol-2(5H)-one, 4-acetyl-1-cyclohexyl-3-hydroxy-5-phenyl-
CID 544948
1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 90330569
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 610237
3-[3-Acetyl-2-(3-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
CID 648150
4-Acetyl-5-(3-fluoro-phenyl)-3-hydroxy-1-(3-methoxy-propyl)-1,5-dihydro-pyrrol-2-one
CID 650972
3-acetamido-N-cyclohexyl-3-phenylpropanamide
CID 5015111
1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 54733174
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(m-tolylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54733175

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide (CID 54733180) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide is CN1C(=O)C(O)=C(C(=O)NCc2ccc(F)cc2)C1c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide?
The InChIKey is UYCSYTRZTJNYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-16(13-5-3-2-4-6-13)15(17(23)19(22)25)18(24)21-11-12-7-9-14(20)10-8-12/h2-10,16,23H,11H2,1H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.47, 4 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-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).