4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide

C16H14FN3O2 — CID 2938230

IUPAC4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
SMILESO=C(NC1C(=O)NNC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c17-12-8-6-11(7-9-12)15(21)18-14-13(19-20-16(14)22)10-4-2-1-3-5-10/h1-9,13-14,19H,(H,18,21)(H,20,22)
InChIKeyNNIAGAWEDMNQRC-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.30
Rot. Bonds3

About 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide

4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide (PubChem CID 2938230) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
PubChem CID2938230
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
SMILESO=C(NC1C(=O)NNC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c17-12-8-6-11(7-9-12)15(21)18-14-13(19-20-16(14)22)10-4-2-1-3-5-10/h1-9,13-14,19H,(H,18,21)(H,20,22)
InChIKeyNNIAGAWEDMNQRC-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide (CID 2938230) is 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide is O=C(NC1C(=O)NNC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
The InChIKey is NNIAGAWEDMNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-8-6-11(7-9-12)15(21)18-14-13(19-20-16(14)22)10-4-2-1-3-5-10/h1-9,13-14,19H,(H,18,21)(H,20,22).
What are the key properties of 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide has a molecular weight of 299.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide is sourced from PubChem (CID 2938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).