N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide

C19H16FN3O3 — CID 24980663

IUPACN'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C19H16FN3O3/c20-15-6-4-8-17(12-15)26-13-18(24)21-22-19(25)14-5-3-7-16(11-14)23-9-1-2-10-23/h1-12H,13H2,(H,21,24)(H,22,25)
InChIKeyCUNDUUXXJZAKEQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.46
Rot. Bonds5

About N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide

N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide (PubChem CID 24980663) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide
PubChem CID24980663
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C19H16FN3O3/c20-15-6-4-8-17(12-15)26-13-18(24)21-22-19(25)14-5-3-7-16(11-14)23-9-1-2-10-23/h1-12H,13H2,(H,21,24)(H,22,25)
InChIKeyCUNDUUXXJZAKEQ-UHFFFAOYSA-N
XLogP2.46
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.46
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-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide (CID 24980663) is N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide is O=C(COc1cccc(F)c1)NNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide?
The InChIKey is CUNDUUXXJZAKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-15-6-4-8-17(12-15)26-13-18(24)21-22-19(25)14-5-3-7-16(11-14)23-9-1-2-10-23/h1-12H,13H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide?
N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide has a molecular weight of 353.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 24980663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).