[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C22H17ClN2O5 — CID 18289074

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O5/c23-18-9-5-16(6-10-18)21(28)25-24-20(27)13-30-22(29)17-3-1-14(2-4-17)15-7-11-19(26)12-8-15/h1-12,26H,13H2,(H,24,27)(H,25,28)
InChIKeyCHNXZWIMIXEZMW-UHFFFAOYSA-N
MW424.84 g/mol
LogP3.33
Rot. Bonds5

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 18289074) has the molecular formula C22H17ClN2O5 and a molecular weight of 424.84 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID18289074
Molecular FormulaC22H17ClN2O5
Molecular Weight424.84 g/mol
Exact Mass424.08
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O5/c23-18-9-5-16(6-10-18)21(28)25-24-20(27)13-30-22(29)17-3-1-14(2-4-17)15-7-11-19(26)12-8-15/h1-12,26H,13H2,(H,24,27)(H,25,28)
InChIKeyCHNXZWIMIXEZMW-UHFFFAOYSA-N
XLogP3.33
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838369
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetamidobenzoate
CID 7949789
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985692
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991562
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469231
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133481

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 18289074) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is CHNXZWIMIXEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O5/c23-18-9-5-16(6-10-18)21(28)25-24-20(27)13-30-22(29)17-3-1-14(2-4-17)15-7-11-19(26)12-8-15/h1-12,26H,13H2,(H,24,27)(H,25,28).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 424.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 18289074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).