2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide

C23H20Br2N2O4 — CID 4960831

IUPAC2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C23H20Br2N2O4/c1-15-11-18(24)8-10-20(15)30-13-22(28)26-27-23(29)14-31-21-9-7-17(12-19(21)25)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyUFXKNHBPHHSNGQ-UHFFFAOYSA-N
MW548.23 g/mol
LogP4.79
Rot. Bonds7

About 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide

2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 4960831) has the molecular formula C23H20Br2N2O4 and a molecular weight of 548.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
PubChem CID4960831
Molecular FormulaC23H20Br2N2O4
Molecular Weight548.23 g/mol
Exact Mass545.98
IUPAC Name2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C23H20Br2N2O4/c1-15-11-18(24)8-10-20(15)30-13-22(28)26-27-23(29)14-31-21-9-7-17(12-19(21)25)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyUFXKNHBPHHSNGQ-UHFFFAOYSA-N
XLogP4.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.23
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dibromophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012557
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide
CID 4960754
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 3253187
N-benzyl-4-[2-[2-(2-bromo-4-phenylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4960797
(2,4-dibromo-6-methylphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012561
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
(4-bromo-2-chlorophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012558
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide (CID 4960831) is 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is UFXKNHBPHHSNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2N2O4/c1-15-11-18(24)8-10-20(15)30-13-22(28)26-27-23(29)14-31-21-9-7-17(12-19(21)25)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide?
2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 548.23 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4960831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).