2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide

C19H17F3N2O3 — CID 129402092

IUPAC2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(CN2CC[C@H](NC(=O)c3cc(F)c(F)c(O)c3F)C2=O)cc1
InChIInChI=1S/C19H17F3N2O3/c1-10-2-4-11(5-3-10)9-24-7-6-14(19(24)27)23-18(26)12-8-13(20)16(22)17(25)15(12)21/h2-5,8,14,25H,6-7,9H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyWRBDFMDTXDOHKP-AWEZNQCLSA-N
MW378.35 g/mol
LogP2.65
Rot. Bonds4

About 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide

2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 129402092) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
PubChem CID129402092
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCc1ccc(CN2CC[C@H](NC(=O)c3cc(F)c(F)c(O)c3F)C2=O)cc1
InChIInChI=1S/C19H17F3N2O3/c1-10-2-4-11(5-3-10)9-24-7-6-14(19(24)27)23-18(26)12-8-13(20)16(22)17(25)15(12)21/h2-5,8,14,25H,6-7,9H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyWRBDFMDTXDOHKP-AWEZNQCLSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide (CID 129402092) is 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide is Cc1ccc(CN2CC[C@H](NC(=O)c3cc(F)c(F)c(O)c3F)C2=O)cc1.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is WRBDFMDTXDOHKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-10-2-4-11(5-3-10)9-24-7-6-14(19(24)27)23-18(26)12-8-13(20)16(22)17(25)15(12)21/h2-5,8,14,25H,6-7,9H2,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 378.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 129402092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).