N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide

C16H14FN3O3S — CID 4097692

IUPACN'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
SMILESO=C(Cc1cccs1)NNC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14FN3O3S/c17-10-3-5-11(6-4-10)20-15(22)9-13(16(20)23)18-19-14(21)8-12-2-1-7-24-12/h1-7,13,18H,8-9H2,(H,19,21)
InChIKeyYMMMJIVODKIWMN-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.38
Rot. Bonds5

About N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide

N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide (PubChem CID 4097692) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
PubChem CID4097692
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
SMILESO=C(Cc1cccs1)NNC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14FN3O3S/c17-10-3-5-11(6-4-10)20-15(22)9-13(16(20)23)18-19-14(21)8-12-2-1-7-24-12/h1-7,13,18H,8-9H2,(H,19,21)
InChIKeyYMMMJIVODKIWMN-UHFFFAOYSA-N
XLogP1.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide (CID 4097692) is N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide is O=C(Cc1cccs1)NNC1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide?
The InChIKey is YMMMJIVODKIWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-10-3-5-11(6-4-10)20-15(22)9-13(16(20)23)18-19-14(21)8-12-2-1-7-24-12/h1-7,13,18H,8-9H2,(H,19,21).
What are the key properties of N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide?
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide has a molecular weight of 347.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide is sourced from PubChem (CID 4097692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).