2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide

C18H13F2N3O2 — CID 1481237

IUPAC2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1ccccc1-n1cccc1
InChIInChI=1S/C18H13F2N3O2/c19-13-7-5-8-14(20)16(13)18(25)22-21-17(24)12-6-1-2-9-15(12)23-10-3-4-11-23/h1-11H,(H,21,24)(H,22,25)
InChIKeyJAKATTHEVKJQLA-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.83
Rot. Bonds3

About 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide

2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide (PubChem CID 1481237) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide
PubChem CID1481237
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1ccccc1-n1cccc1
InChIInChI=1S/C18H13F2N3O2/c19-13-7-5-8-14(20)16(13)18(25)22-21-17(24)12-6-1-2-9-15(12)23-10-3-4-11-23/h1-11H,(H,21,24)(H,22,25)
InChIKeyJAKATTHEVKJQLA-UHFFFAOYSA-N
XLogP2.83
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide (CID 1481237) is 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide is O=C(NNC(=O)c1c(F)cccc1F)c1ccccc1-n1cccc1.
What is the InChIKey of 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide?
The InChIKey is JAKATTHEVKJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-13-7-5-8-14(20)16(13)18(25)22-21-17(24)12-6-1-2-9-15(12)23-10-3-4-11-23/h1-11H,(H,21,24)(H,22,25).
What are the key properties of 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide?
2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide has a molecular weight of 341.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-(2-pyrrol-1-ylbenzoyl)benzohydrazide is sourced from PubChem (CID 1481237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).