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

C18H19FN2O3 — CID 27568831

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-12-6-7-13(2)16(8-12)24-11-18(23)21-20-17(22)10-14-4-3-5-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQBHSMAYDAJGQMV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.21
Rot. Bonds5

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

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide (PubChem CID 27568831) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
PubChem CID27568831
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C18H19FN2O3/c1-12-6-7-13(2)16(8-12)24-11-18(23)21-20-17(22)10-14-4-3-5-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQBHSMAYDAJGQMV-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-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 27568985
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158
2-(2-chloro-6-fluorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 7943410
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-ethoxyphenyl)acetohydrazide
CID 27568812
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide (CID 27568831) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
The InChIKey is QBHSMAYDAJGQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-6-7-13(2)16(8-12)24-11-18(23)21-20-17(22)10-14-4-3-5-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-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-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide is sourced from PubChem (CID 27568831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).