2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide

C22H18BrFN2O4 — CID 24538888

IUPAC2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C22H18BrFN2O4/c23-20-12-16(24)6-11-19(20)22(28)26-25-21(27)14-30-18-9-7-17(8-10-18)29-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyFAVUTKXEYLJLOX-UHFFFAOYSA-N
MW473.30 g/mol
LogP4.01
Rot. Bonds7

About 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide

2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide (PubChem CID 24538888) has the molecular formula C22H18BrFN2O4 and a molecular weight of 473.30 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
PubChem CID24538888
Molecular FormulaC22H18BrFN2O4
Molecular Weight473.30 g/mol
Exact Mass472.04
IUPAC Name2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C22H18BrFN2O4/c23-20-12-16(24)6-11-19(20)22(28)26-25-21(27)14-30-18-9-7-17(8-10-18)29-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyFAVUTKXEYLJLOX-UHFFFAOYSA-N
XLogP4.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.30
LogP ≤ 54.01
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

5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
5-fluoro-3-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 24502823
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
CID 91699651
4-fluoro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4933343
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide (CID 24538888) is 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide is O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is FAVUTKXEYLJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN2O4/c23-20-12-16(24)6-11-19(20)22(28)26-25-21(27)14-30-18-9-7-17(8-10-18)29-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 473.30 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 24538888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).