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

C18H18Br2N2O4 — CID 5089524

IUPAC2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C18H18Br2N2O4/c1-11-3-5-15(13(19)7-11)25-9-17(23)21-22-18(24)10-26-16-6-4-12(2)8-14(16)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBWBCXVFQKDDEHD-UHFFFAOYSA-N
MW486.16 g/mol
LogP3.43
Rot. Bonds6

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

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide (PubChem CID 5089524) has the molecular formula C18H18Br2N2O4 and a molecular weight of 486.16 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
PubChem CID5089524
Molecular FormulaC18H18Br2N2O4
Molecular Weight486.16 g/mol
Exact Mass483.96
IUPAC Name2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C18H18Br2N2O4/c1-11-3-5-15(13(19)7-11)25-9-17(23)21-22-18(24)10-26-16-6-4-12(2)8-14(16)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBWBCXVFQKDDEHD-UHFFFAOYSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.16
LogP ≤ 53.43
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

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
CID 4280301
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
CID 4280299
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide
CID 3911009
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide (CID 5089524) is 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide is Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide?
The InChIKey is BWBCXVFQKDDEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O4/c1-11-3-5-15(13(19)7-11)25-9-17(23)21-22-18(24)10-26-16-6-4-12(2)8-14(16)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide?
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide has a molecular weight of 486.16 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 5089524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).