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

C18H21F3N2O3 — CID 89489369

IUPAC4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccc(CCCCNC(=O)C2=C(O)C(=O)N(C)C2)cc1C(F)(F)F
InChIInChI=1S/C18H21F3N2O3/c1-11-6-7-12(9-14(11)18(19,20)21)5-3-4-8-22-16(25)13-10-23(2)17(26)15(13)24/h6-7,9,24H,3-5,8,10H2,1-2H3,(H,22,25)
InChIKeyAFAYIRVDPBNAMX-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.74
Rot. Bonds6

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

4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489369) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489369
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide
SMILESCc1ccc(CCCCNC(=O)C2=C(O)C(=O)N(C)C2)cc1C(F)(F)F
InChIInChI=1S/C18H21F3N2O3/c1-11-6-7-12(9-14(11)18(19,20)21)5-3-4-8-22-16(25)13-10-23(2)17(26)15(13)24/h6-7,9,24H,3-5,8,10H2,1-2H3,(H,22,25)
InChIKeyAFAYIRVDPBNAMX-UHFFFAOYSA-N
XLogP2.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 90330569
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(m-tolylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54733175
4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
CID 89489375
4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 90302077
4-hydroxy-1-methyl-5-oxo-N-[3-[2-(trifluoromethyl)phenyl]propyl]-2H-pyrrole-3-carboxamide
CID 89489474
N-[(1R)-1-[3-[4-(acetamidomethyl)phenyl]phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330467
4-hydroxy-1-methyl-5-oxo-N-[(2-phenylphenyl)methyl]-2H-pyrrole-3-carboxamide
CID 90330471
4-hydroxy-1-methyl-5-oxo-N-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-pyrrole-3-carboxamide
CID 90330565
N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330568
N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330626
4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-1-(4,4,4-trifluorobutyl)-2H-pyrrole-3-carboxamide
CID 90330655
N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330657

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide (CID 89489369) is 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide is Cc1ccc(CCCCNC(=O)C2=C(O)C(=O)N(C)C2)cc1C(F)(F)F.
What is the InChIKey of 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is AFAYIRVDPBNAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-11-6-7-12(9-14(11)18(19,20)21)5-3-4-8-22-16(25)13-10-23(2)17(26)15(13)24/h6-7,9,24H,3-5,8,10H2,1-2H3,(H,22,25).
What are the key properties of 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-[4-[4-methyl-3-(trifluoromethyl)phenyl]butyl]-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).