N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide

C18H14FN3O2 — CID 1481242

IUPACN'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-14-9-7-13(8-10-14)17(23)20-21-18(24)15-5-1-2-6-16(15)22-11-3-4-12-22/h1-12H,(H,20,23)(H,21,24)
InChIKeyGDMTULKFBBSSDP-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.69
Rot. Bonds3

About N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide

N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide (PubChem CID 1481242) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide
PubChem CID1481242
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-14-9-7-13(8-10-14)17(23)20-21-18(24)15-5-1-2-6-16(15)22-11-3-4-12-22/h1-12H,(H,20,23)(H,21,24)
InChIKeyGDMTULKFBBSSDP-UHFFFAOYSA-N
XLogP2.69
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.69
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 N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide (CID 1481242) is N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide is O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is GDMTULKFBBSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-9-7-13(8-10-14)17(23)20-21-18(24)15-5-1-2-6-16(15)22-11-3-4-12-22/h1-12H,(H,20,23)(H,21,24).
What are the key properties of N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide?
N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 323.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 1481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).