N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide

C19H17FN2O4 — CID 4544204

IUPACN'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
SMILESCc1ccc2c(CC(=O)NNC(=O)COc3cccc(F)c3)coc2c1
InChIInChI=1S/C19H17FN2O4/c1-12-5-6-16-13(10-26-17(16)7-12)8-18(23)21-22-19(24)11-25-15-4-2-3-14(20)9-15/h2-7,9-10H,8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyNTLATFYJLCYRCX-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.65
Rot. Bonds5

About N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide

N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 4544204) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
PubChem CID4544204
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC NameN'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
SMILESCc1ccc2c(CC(=O)NNC(=O)COc3cccc(F)c3)coc2c1
InChIInChI=1S/C19H17FN2O4/c1-12-5-6-16-13(10-26-17(16)7-12)8-18(23)21-22-19(24)11-25-15-4-2-3-14(20)9-15/h2-7,9-10H,8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyNTLATFYJLCYRCX-UHFFFAOYSA-N
XLogP2.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.65
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-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18159262
N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
N'-[2-(3-fluorophenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 2670452
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010405
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide (CID 4544204) is N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide is Cc1ccc2c(CC(=O)NNC(=O)COc3cccc(F)c3)coc2c1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is NTLATFYJLCYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-12-5-6-16-13(10-26-17(16)7-12)8-18(23)21-22-19(24)11-25-15-4-2-3-14(20)9-15/h2-7,9-10H,8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 356.35 g/mol, XLogP of 2.65, 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]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 4544204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).