methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate

C16H15BrN2O5 — CID 28638196

IUPACmethyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
SMILESCOC(=O)CC(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H15BrN2O5/c1-23-15(22)8-13(20)18-19-14(21)9-24-12-7-6-10-4-2-3-5-11(10)16(12)17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyKVEFVVGILRBSBF-UHFFFAOYSA-N
MW395.21 g/mol
LogP1.69
Rot. Bonds5

About methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate

methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate (PubChem CID 28638196) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
PubChem CID28638196
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Namemethyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
SMILESCOC(=O)CC(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H15BrN2O5/c1-23-15(22)8-13(20)18-19-14(21)9-24-12-7-6-10-4-2-3-5-11(10)16(12)17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyKVEFVVGILRBSBF-UHFFFAOYSA-N
XLogP1.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355590
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3292496
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 40627603

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate?
The IUPAC name of methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate (CID 28638196) is methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate?
The canonical SMILES for methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate is COC(=O)CC(=O)NNC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate?
The InChIKey is KVEFVVGILRBSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-23-15(22)8-13(20)18-19-14(21)9-24-12-7-6-10-4-2-3-5-11(10)16(12)17/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate?
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate has a molecular weight of 395.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate is sourced from PubChem (CID 28638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).