[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate

C17H16BrN3O4 — CID 7670728

IUPAC[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O4/c1-19-14-9-5-3-7-12(14)17(24)25-10-15(22)20-21-16(23)11-6-2-4-8-13(11)18/h2-9,19H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyXADVNLAUUCHADX-UHFFFAOYSA-N
MW406.24 g/mol
LogP2.11
Rot. Bonds5

About [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7670728) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7670728
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O4/c1-19-14-9-5-3-7-12(14)17(24)25-10-15(22)20-21-16(23)11-6-2-4-8-13(11)18/h2-9,19H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyXADVNLAUUCHADX-UHFFFAOYSA-N
XLogP2.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 52.11
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-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648433
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870754
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385643
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(methylamino)benzoate
CID 2542769
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549516
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(methylamino)benzoate
CID 2542963

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate (CID 7670728) is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is XADVNLAUUCHADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c1-19-14-9-5-3-7-12(14)17(24)25-10-15(22)20-21-16(23)11-6-2-4-8-13(11)18/h2-9,19H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate?
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 406.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 7670728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).