4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide

C24H23FN2O4 — CID 8502972

IUPAC4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)Cc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-30-20-11-13-21(14-12-20)31-16-17-7-9-18(10-8-17)24(29)27-26-23(28)15-19-5-3-4-6-22(19)25/h3-14H,2,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyZRWNSZOMCNKQGZ-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.81
Rot. Bonds8

About 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide

4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide (PubChem CID 8502972) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
PubChem CID8502972
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)Cc3ccccc3F)cc2)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-30-20-11-13-21(14-12-20)31-16-17-7-9-18(10-8-17)24(29)27-26-23(28)15-19-5-3-4-6-22(19)25/h3-14H,2,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyZRWNSZOMCNKQGZ-UHFFFAOYSA-N
XLogP3.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide
CID 3420448
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide (CID 8502972) is 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide is CCOc1ccc(OCc2ccc(C(=O)NNC(=O)Cc3ccccc3F)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide?
The InChIKey is ZRWNSZOMCNKQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-2-30-20-11-13-21(14-12-20)31-16-17-7-9-18(10-8-17)24(29)27-26-23(28)15-19-5-3-4-6-22(19)25/h3-14H,2,15-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide?
4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide has a molecular weight of 422.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide is sourced from PubChem (CID 8502972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).