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

C22H18ClFN2O4 — CID 24538928

IUPAC5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C22H18ClFN2O4/c23-16-6-11-20(24)19(12-16)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)
InChIKeyDEFAKCAJWOPUNX-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.90
Rot. Bonds7

About 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide

5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide (PubChem CID 24538928) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
PubChem CID24538928
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC Name5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C22H18ClFN2O4/c23-16-6-11-20(24)19(12-16)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)
InChIKeyDEFAKCAJWOPUNX-UHFFFAOYSA-N
XLogP3.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.90
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-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538888
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide (CID 24538928) is 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide is O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is DEFAKCAJWOPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c23-16-6-11-20(24)19(12-16)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 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 428.85 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 24538928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).