N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten

C18H13F5N3O2W- — CID 168968738

IUPACN-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten
SMILESNN(C(=O)C1C(=O)[N-]CC1c1cccc(C(F)(F)F)c1)c1cccc(F)c1F.[W]
InChIInChI=1S/C18H14F5N3O2.W/c19-12-5-2-6-13(15(12)20)26(24)17(28)14-11(8-25-16(14)27)9-3-1-4-10(7-9)18(21,22)23;/h1-7,11,14H,8,24H2,(H,25,27);/p-1
InChIKeyNASQBHGORMLKBV-UHFFFAOYSA-M
MW582.15 g/mol
LogP3.50
Rot. Bonds3

About N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten

N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten (PubChem CID 168968738) has the molecular formula C18H13F5N3O2W- and a molecular weight of 582.15 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten
PubChem CID168968738
Molecular FormulaC18H13F5N3O2W-
Molecular Weight582.15 g/mol
Exact Mass582.04
IUPAC NameN-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten
SMILESNN(C(=O)C1C(=O)[N-]CC1c1cccc(C(F)(F)F)c1)c1cccc(F)c1F.[W]
InChIInChI=1S/C18H14F5N3O2.W/c19-12-5-2-6-13(15(12)20)26(24)17(28)14-11(8-25-16(14)27)9-3-1-4-10(7-9)18(21,22)23;/h1-7,11,14H,8,24H2,(H,25,27);/p-1
InChIKeyNASQBHGORMLKBV-UHFFFAOYSA-M
XLogP3.50
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 135346548
trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 162607705
(3S,4S)-1-(2,2-difluoroethyl)-N-(2-fluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412219
2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 122628118
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
3-oxo-6-[3-(trifluoromethyl)phenyl]-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazole-7-carboxylic acid
CID 175552951
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
(3S,4S)-N-(2,3-difluorophenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412113
3,3,6,6-tetramethyl-9-[3-(trifluoromethyl)phenyl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 1147848
2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 81415478

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten?
The IUPAC name of N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten (CID 168968738) is N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten?
The canonical SMILES for N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten is NN(C(=O)C1C(=O)[N-]CC1c1cccc(C(F)(F)F)c1)c1cccc(F)c1F.[W].
What is the InChIKey of N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten?
The InChIKey is NASQBHGORMLKBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14F5N3O2.W/c19-12-5-2-6-13(15(12)20)26(24)17(28)14-11(8-25-16(14)27)9-3-1-4-10(7-9)18(21,22)23;/h1-7,11,14H,8,24H2,(H,25,27);/p-1.
What are the key properties of N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten?
N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten has a molecular weight of 582.15 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ide-3-carbohydrazide;tungsten is sourced from PubChem (CID 168968738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).