N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide

C18H19FN2O3 — CID 26656621

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3/c1-12-7-13(2)9-16(8-12)24-11-18(23)21-20-17(22)10-14-3-5-15(19)6-4-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYRFWWCLANLGUBH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.21
Rot. Bonds5

About N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide (PubChem CID 26656621) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
PubChem CID26656621
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3/c1-12-7-13(2)9-16(8-12)24-11-18(23)21-20-17(22)10-14-3-5-15(19)6-4-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYRFWWCLANLGUBH-UHFFFAOYSA-N
XLogP2.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.21
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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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
2-(2-chloro-6-fluorophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]acetohydrazide
CID 30544669
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N'-[2-(3-fluorophenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 2670452
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide
CID 36855400
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide (CID 26656621) is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide?
The InChIKey is YRFWWCLANLGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-7-13(2)9-16(8-12)24-11-18(23)21-20-17(22)10-14-3-5-15(19)6-4-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide has a molecular weight of 330.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide is sourced from PubChem (CID 26656621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).