methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate

C17H15ClN2O5 — CID 1037884

IUPACmethyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O5/c1-24-17(23)11-6-8-12(9-7-11)25-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBQBMUNSPPXVUCX-UHFFFAOYSA-N
MW362.77 g/mol
LogP1.97
Rot. Bonds5

About methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate

methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 1037884) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID1037884
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Namemethyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O5/c1-24-17(23)11-6-8-12(9-7-11)25-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBQBMUNSPPXVUCX-UHFFFAOYSA-N
XLogP1.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 51.97
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

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779481
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
ethyl 4-[2-[2-[2-(2-methoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17355650
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
2-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 4927617
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
CID 7667580
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate (CID 1037884) is methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is BQBMUNSPPXVUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-24-17(23)11-6-8-12(9-7-11)25-10-15(21)19-20-16(22)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate?
methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 362.77 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 1037884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).