N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

C14H14FN3O3 — CID 24817911

IUPACN'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)COc1ccccc1F
InChIInChI=1S/C14H14FN3O3/c1-18-8-4-6-11(18)14(20)17-16-13(19)9-21-12-7-3-2-5-10(12)15/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyRBJXVFFIYOQINN-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.00
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 24817911) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID24817911
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)COc1ccccc1F
InChIInChI=1S/C14H14FN3O3/c1-18-8-4-6-11(18)14(20)17-16-13(19)9-21-12-7-3-2-5-10(12)15/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyRBJXVFFIYOQINN-UHFFFAOYSA-N
XLogP1.00
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.00
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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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]pyridine-2-carbohydrazide
CID 16330911
N'-[2-(3-bromophenoxy)propanoyl]pyridine-2-carbohydrazide
CID 4791450
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]furan-2-carbohydrazide
CID 9579633
N'-[2-(4-cyanophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 25163391
Pyridine-2-carboxylic acid N'-[2-(4-methoxy-phenoxy)-acetyl]-hydrazide
CID 774167
Pyridine-2-carboxylic acid N'-[2-(4-chloro-phenoxy)-acetyl]-hydrazide
CID 793931
N'-[1-(2-furyl)ethylidene]-2-pyridinecarbohydrazide
CID 5402012
N'-[2-(3-fluorophenoxy)acetyl]-3-pyrrol-1-ylbenzohydrazide
CID 24980663
N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24983185
N'-[(2-Fluorophenoxy)acetyl]-3-(1H-pyrrol-1-yl)benzohydrazide
CID 24817910
N'-[2-(2-chlorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 25162293
N'-(2-phenoxypropanoyl)pyridine-2-carbohydrazide
CID 3743145

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 24817911) is N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNC(=O)COc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is RBJXVFFIYOQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-18-8-4-6-11(18)14(20)17-16-13(19)9-21-12-7-3-2-5-10(12)15/h2-8H,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 291.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 24817911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).