[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium

C18H15F2N2O2Tl — CID 163597452

IUPAC[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
SMILESCN1CC(c2ccc(F)c([Tl])c2)C(C(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C18H15F2N2O2.Tl/c1-22-10-13(11-6-8-12(19)9-7-11)16(18(22)24)17(23)21-15-5-3-2-4-14(15)20;/h2-8,13,16H,10H2,1H3,(H,21,23);
InChIKeyGURPPVVYJIGJAV-UHFFFAOYSA-N
MW533.71 g/mol
LogP1.57
Rot. Bonds3

About [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium

[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium (PubChem CID 163597452) has the molecular formula C18H15F2N2O2Tl and a molecular weight of 533.71 g/mol. Its IUPAC name is [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium.

Molecular Properties

Compound Name[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
PubChem CID163597452
Molecular FormulaC18H15F2N2O2Tl
Molecular Weight533.71 g/mol
Exact Mass534.08
IUPAC Name[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
SMILESCN1CC(c2ccc(F)c([Tl])c2)C(C(=O)Nc2ccccc2F)C1=O
InChIInChI=1S/C18H15F2N2O2.Tl/c1-22-10-13(11-6-8-12(19)9-7-11)16(18(22)24)17(23)21-15-5-3-2-4-14(15)20;/h2-8,13,16H,10H2,1H3,(H,21,23);
InChIKeyGURPPVVYJIGJAV-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.71
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-N-(2-fluorophenyl)-1-methyl-2-oxo-4-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 134411876
N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134411805
(3S,4S)-1-methyl-N-(2-methylsulfanylphenyl)-2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134411782
(3S,4S)-N-(2,3-difluorophenyl)-4-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
(3R,4R)-4-(4-chloro-3-methoxyphenyl)-N-(2,3-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412328
(3R,4R)-N-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412458
(3S,4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134416094
(3S,4S)-N-(2-bromo-3-fluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411859
N-(2,3-difluorophenyl)-4-(4-ethoxy-3-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412556
(3S,4S)-4-(3-cyano-4-fluorophenyl)-1-methyl-N-(2-methylsulfonylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412638
(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412683
(3S,4R)-N-(2-fluorophenyl)-1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617851

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium?
The IUPAC name of [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium (CID 163597452) is [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium.
What is the SMILES notation for [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium?
The canonical SMILES for [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium is CN1CC(c2ccc(F)c([Tl])c2)C(C(=O)Nc2ccccc2F)C1=O.
What is the InChIKey of [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium?
The InChIKey is GURPPVVYJIGJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N2O2.Tl/c1-22-10-13(11-6-8-12(19)9-7-11)16(18(22)24)17(23)21-15-5-3-2-4-14(15)20;/h2-8,13,16H,10H2,1H3,(H,21,23);.
What are the key properties of [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium?
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium has a molecular weight of 533.71 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium is sourced from PubChem (CID 163597452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).