N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide

C20H22Br2N2O4 — CID 3343767

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c(Br)c1
InChIInChI=1S/C20H22Br2N2O4/c1-4-14-5-6-17(16(22)9-14)27-10-18(25)23-24-19(26)11-28-20-12(2)7-15(21)8-13(20)3/h5-9H,4,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVTTWXGLPGSYINX-UHFFFAOYSA-N
MW514.21 g/mol
LogP4.00
Rot. Bonds7

About N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide (PubChem CID 3343767) has the molecular formula C20H22Br2N2O4 and a molecular weight of 514.21 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
PubChem CID3343767
Molecular FormulaC20H22Br2N2O4
Molecular Weight514.21 g/mol
Exact Mass511.99
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c(Br)c1
InChIInChI=1S/C20H22Br2N2O4/c1-4-14-5-6-17(16(22)9-14)27-10-18(25)23-24-19(26)11-28-20-12(2)7-15(21)8-13(20)3/h5-9H,4,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVTTWXGLPGSYINX-UHFFFAOYSA-N
XLogP4.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.21
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
2-(2-bromo-4-ethylphenoxy)-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3259623
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 4938237
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide (CID 3343767) is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide is CCc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c(Br)c1.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide?
The InChIKey is VTTWXGLPGSYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O4/c1-4-14-5-6-17(16(22)9-14)27-10-18(25)23-24-19(26)11-28-20-12(2)7-15(21)8-13(20)3/h5-9H,4,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide has a molecular weight of 514.21 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide is sourced from PubChem (CID 3343767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).