2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide

C17H16BrN3O4 — CID 7725473

IUPAC2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C17H16BrN3O4/c1-11-9-12(18)7-8-14(11)25-10-15(22)20-21-17(24)16(23)19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyROCSUAWUAGTDPP-UHFFFAOYSA-N
MW406.24 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide

2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide (PubChem CID 7725473) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide
PubChem CID7725473
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC Name2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C17H16BrN3O4/c1-11-9-12(18)7-8-14(11)25-10-15(22)20-21-17(24)16(23)19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyROCSUAWUAGTDPP-UHFFFAOYSA-N
XLogP1.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide (CID 7725473) is 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide?
The InChIKey is ROCSUAWUAGTDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c1-11-9-12(18)7-8-14(11)25-10-15(22)20-21-17(24)16(23)19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide?
2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide has a molecular weight of 406.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 7725473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).