[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

C19H19ClN2O5 — CID 7853731

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O5/c1-12-7-13(2)9-16(8-12)26-11-18(24)27-10-17(23)21-22-19(25)14-3-5-15(20)6-4-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVWJBWMZMQKKUIM-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.34
Rot. Bonds6

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 7853731) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
PubChem CID7853731
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O5/c1-12-7-13(2)9-16(8-12)26-11-18(24)27-10-17(23)21-22-19(25)14-3-5-15(20)6-4-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVWJBWMZMQKKUIM-UHFFFAOYSA-N
XLogP2.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 9470850
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7577932
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23762287
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 9322281
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate (CID 7853731) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is VWJBWMZMQKKUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-12-7-13(2)9-16(8-12)26-11-18(24)27-10-17(23)21-22-19(25)14-3-5-15(20)6-4-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 390.82 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 7853731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).