N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide

C18H19FN2O3 — CID 134060211

IUPACN'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCc1cc(C)cc(OCCC(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-12-9-13(2)11-14(10-12)24-8-7-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJHTHKMRCOGNOHZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.67
Rot. Bonds5

About N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide

N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide (PubChem CID 134060211) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
PubChem CID134060211
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCc1cc(C)cc(OCCC(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-12-9-13(2)11-14(10-12)24-8-7-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJHTHKMRCOGNOHZ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
1-(2-fluorophenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea
CID 9468541
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9313933
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931199
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide (CID 134060211) is N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide is Cc1cc(C)cc(OCCC(=O)NNC(=O)c2ccccc2F)c1.
What is the InChIKey of N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is JHTHKMRCOGNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-9-13(2)11-14(10-12)24-8-7-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide?
N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide has a molecular weight of 330.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 134060211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).