N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide

C19H21FN2O4 — CID 4784004

IUPACN'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-2-25-16-6-3-4-7-17(16)26-13-5-8-18(23)21-22-19(24)14-9-11-15(20)12-10-14/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWXASHLSHUFRIDI-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.84
Rot. Bonds8

About N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide

N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide (PubChem CID 4784004) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide
PubChem CID4784004
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-2-25-16-6-3-4-7-17(16)26-13-5-8-18(23)21-22-19(24)14-9-11-15(20)12-10-14/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWXASHLSHUFRIDI-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide (CID 4784004) is N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide is CCOc1ccccc1OCCCC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide?
The InChIKey is WXASHLSHUFRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-2-25-16-6-3-4-7-17(16)26-13-5-8-18(23)21-22-19(24)14-9-11-15(20)12-10-14/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide?
N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide has a molecular weight of 360.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-ethoxyphenoxy)butanoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 4784004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).