4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide

C18H19FN2O3 — CID 4795371

IUPAC4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCc1cccc(OCCCC(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3/c1-13-4-2-5-16(12-13)24-11-3-6-17(22)20-21-18(23)14-7-9-15(19)10-8-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyKUKLKHUWSBUQAG-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.75
Rot. Bonds6

About 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide

4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide (PubChem CID 4795371) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
PubChem CID4795371
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
SMILESCc1cccc(OCCCC(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O3/c1-13-4-2-5-16(12-13)24-11-3-6-17(22)20-21-18(23)14-7-9-15(19)10-8-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyKUKLKHUWSBUQAG-UHFFFAOYSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 16546756
4-bromo-N'-[4-(3-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256254
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
CID 7964944
1-ethyl-3-[4-(3-methylphenoxy)butanoylamino]thiourea
CID 7977503
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide (CID 4795371) is 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide is Cc1cccc(OCCCC(=O)NNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide?
The InChIKey is KUKLKHUWSBUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-13-4-2-5-16(12-13)24-11-3-6-17(22)20-21-18(23)14-7-9-15(19)10-8-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide?
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide has a molecular weight of 330.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 4795371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).