4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide

C17H15F2N3O2 — CID 135352294

IUPAC4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
SMILESO=C1NCC(c2ccc(F)c(F)c2)C1C(=O)NNc1ccccc1
InChIInChI=1S/C17H15F2N3O2/c18-13-7-6-10(8-14(13)19)12-9-20-16(23)15(12)17(24)22-21-11-4-2-1-3-5-11/h1-8,12,15,21H,9H2,(H,20,23)(H,22,24)
InChIKeyWWOXSIBMMOMZSB-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.94
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide

4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide (PubChem CID 135352294) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
PubChem CID135352294
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
SMILESO=C1NCC(c2ccc(F)c(F)c2)C1C(=O)NNc1ccccc1
InChIInChI=1S/C17H15F2N3O2/c18-13-7-6-10(8-14(13)19)12-9-20-16(23)15(12)17(24)22-21-11-4-2-1-3-5-11/h1-8,12,15,21H,9H2,(H,20,23)(H,22,24)
InChIKeyWWOXSIBMMOMZSB-UHFFFAOYSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide (CID 135352294) is 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide is O=C1NCC(c2ccc(F)c(F)c2)C1C(=O)NNc1ccccc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The InChIKey is WWOXSIBMMOMZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-13-7-6-10(8-14(13)19)12-9-20-16(23)15(12)17(24)22-21-11-4-2-1-3-5-11/h1-8,12,15,21H,9H2,(H,20,23)(H,22,24).
What are the key properties of 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide has a molecular weight of 331.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 135352294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).