N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

C16H11F2N3O2S — CID 1481215

IUPACN'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1sccc1-n1cccc1
InChIInChI=1S/C16H11F2N3O2S/c17-10-4-3-5-11(18)13(10)15(22)19-20-16(23)14-12(6-9-24-14)21-7-1-2-8-21/h1-9H,(H,19,22)(H,20,23)
InChIKeyRPVNQDWEFJZEQX-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.89
Rot. Bonds3

About N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 1481215) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID1481215
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1sccc1-n1cccc1
InChIInChI=1S/C16H11F2N3O2S/c17-10-4-3-5-11(18)13(10)15(22)19-20-16(23)14-12(6-9-24-14)21-7-1-2-8-21/h1-9H,(H,19,22)(H,20,23)
InChIKeyRPVNQDWEFJZEQX-UHFFFAOYSA-N
XLogP2.89
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 1481215) is N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is O=C(NNC(=O)c1c(F)cccc1F)c1sccc1-n1cccc1.
What is the InChIKey of N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is RPVNQDWEFJZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-10-4-3-5-11(18)13(10)15(22)19-20-16(23)14-12(6-9-24-14)21-7-1-2-8-21/h1-9H,(H,19,22)(H,20,23).
What are the key properties of N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 347.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 1481215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).