2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide

C18H14FN3O2 — CID 24979922

IUPAC2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H14FN3O2/c19-16-9-2-1-8-15(16)18(24)21-20-17(23)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H,20,23)(H,21,24)
InChIKeyPLQQZSUVMBDIBT-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.69
Rot. Bonds3

About 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide

2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide (PubChem CID 24979922) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide
PubChem CID24979922
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H14FN3O2/c19-16-9-2-1-8-15(16)18(24)21-20-17(23)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H,20,23)(H,21,24)
InChIKeyPLQQZSUVMBDIBT-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'}

Analyze 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
N'-Isonicotinoylbenzohydrazide
CID 569538
Pyridine-4-carbohydrazide, N2-(1-phenylpyrrol-2-yl)methylene-
CID 9579993
N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 2351493
2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743
2-(1H-pyrrol-1-yl)benzohydrazide
CID 727889
Cyclohexanecarboxylic acid N'-(pyridine-4-carbonyl)-hydrazide
CID 782647
N'-(4-Fluorobenzoyl)isonicotinohydrazide
CID 788111
N'-(3-phenylpropanoyl)pyridine-4-carbohydrazide
CID 846328
N'-(2,6-difluorobenzoyl)-2-(1H-pyrrol-1-yl)benzenecarbohydrazide
CID 1481237
N'-(4-fluorobenzoyl)-2-(1H-pyrrol-1-yl)benzenecarbohydrazide
CID 1481242

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide (CID 24979922) is 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1cccc(-n2cccc2)c1.
What is the InChIKey of 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide?
The InChIKey is PLQQZSUVMBDIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-16-9-2-1-8-15(16)18(24)21-20-17(23)13-6-5-7-14(12-13)22-10-3-4-11-22/h1-12H,(H,20,23)(H,21,24).
What are the key properties of 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide?
2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide 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 2-fluoro-N'-(3-pyrrol-1-ylbenzoyl)benzohydrazide is sourced from PubChem (CID 24979922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).