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

C17H15F2N3O2 — CID 135352296

IUPAC(3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
SMILESO=C1NC[C@H](c2ccc(F)c(F)c2)[C@H]1C(=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)/t12-,15-/m1/s1
InChIKeyWWOXSIBMMOMZSB-IUODEOHRSA-N
MW331.32 g/mol
LogP1.94
Rot. Bonds4

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

(3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide (PubChem CID 135352296) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
PubChem CID135352296
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name(3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
SMILESO=C1NC[C@H](c2ccc(F)c(F)c2)[C@H]1C(=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)/t12-,15-/m1/s1
InChIKeyWWOXSIBMMOMZSB-IUODEOHRSA-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'}

Analyze (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The IUPAC name of (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide (CID 135352296) is (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide is O=C1NC[C@H](c2ccc(F)c(F)c2)[C@H]1C(=O)NNc1ccccc1.
What is the InChIKey of (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
The InChIKey is WWOXSIBMMOMZSB-IUODEOHRSA-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)/t12-,15-/m1/s1.
What are the key properties of (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide?
(3R,4S)-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 (3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 135352296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).