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

C21H21FN2O3 — CID 54733177

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C21H21FN2O3/c22-17-10-8-16(9-11-17)13-23-20(26)18-14-24(21(27)19(18)25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,25H,4,7,12-14H2,(H,23,26)
InChIKeyWLYLALVBPQTHGP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.73
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide (PubChem CID 54733177) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
PubChem CID54733177
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C21H21FN2O3/c22-17-10-8-16(9-11-17)13-23-20(26)18-14-24(21(27)19(18)25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,25H,4,7,12-14H2,(H,23,26)
InChIKeyWLYLALVBPQTHGP-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide (CID 54733177) is N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide is O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
The InChIKey is WLYLALVBPQTHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-17-10-8-16(9-11-17)13-23-20(26)18-14-24(21(27)19(18)25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,25H,4,7,12-14H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.73, 7 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-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).