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

C18H22FN3O4 — CID 54704692

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H22FN3O4/c19-14-3-1-13(2-4-14)11-20-17(24)15-12-22(18(25)16(15)23)6-5-21-7-9-26-10-8-21/h1-4,23H,5-12H2,(H,20,24)
InChIKeyAMHPIRYCPAFTGG-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.43
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54704692) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54704692
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H22FN3O4/c19-14-3-1-13(2-4-14)11-20-17(24)15-12-22(18(25)16(15)23)6-5-21-7-9-26-10-8-21/h1-4,23H,5-12H2,(H,20,24)
InChIKeyAMHPIRYCPAFTGG-UHFFFAOYSA-N
XLogP0.43
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
CID 54733179
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(morpholin-4-ylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598712
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168036
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89480017
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide
CID 66585405
N-[[4-(3-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330583
6-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115658

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide (CID 54704692) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide is O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is AMHPIRYCPAFTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-14-3-1-13(2-4-14)11-20-17(24)15-12-22(18(25)16(15)23)6-5-21-7-9-26-10-8-21/h1-4,23H,5-12H2,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54704692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).