[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate

C18H15ClF2N2O6 — CID 16522073

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H15ClF2N2O6/c1-27-14-6-5-11(19)8-13(14)16(25)23-22-15(24)9-28-17(26)10-3-2-4-12(7-10)29-18(20)21/h2-8,18H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyMDSJMYUCJXBXJO-UHFFFAOYSA-N
MW428.78 g/mol
LogP2.57
Rot. Bonds7

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate (PubChem CID 16522073) has the molecular formula C18H15ClF2N2O6 and a molecular weight of 428.78 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
PubChem CID16522073
Molecular FormulaC18H15ClF2N2O6
Molecular Weight428.78 g/mol
Exact Mass428.06
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H15ClF2N2O6/c1-27-14-6-5-11(19)8-13(14)16(25)23-22-15(24)9-28-17(26)10-3-2-4-12(7-10)29-18(20)21/h2-8,18H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyMDSJMYUCJXBXJO-UHFFFAOYSA-N
XLogP2.57
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-ethoxybenzoate
CID 7751673
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017426
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
CID 2512926
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991562
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate (CID 16522073) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate?
The InChIKey is MDSJMYUCJXBXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O6/c1-27-14-6-5-11(19)8-13(14)16(25)23-22-15(24)9-28-17(26)10-3-2-4-12(7-10)29-18(20)21/h2-8,18H,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate has a molecular weight of 428.78 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 16522073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).