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

C18H19BrN2O5 — CID 4634264

IUPACN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H19BrN2O5/c1-12-3-8-16(15(19)9-12)26-11-18(23)21-20-17(22)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySOMDCHJXBLNCIZ-UHFFFAOYSA-N
MW423.26 g/mol
LogP2.37
Rot. Bonds7

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

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide (PubChem CID 4634264) has the molecular formula C18H19BrN2O5 and a molecular weight of 423.26 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
PubChem CID4634264
Molecular FormulaC18H19BrN2O5
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H19BrN2O5/c1-12-3-8-16(15(19)9-12)26-11-18(23)21-20-17(22)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySOMDCHJXBLNCIZ-UHFFFAOYSA-N
XLogP2.37
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
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-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(2,4-dibromophenoxy)-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4505578
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
3-bromo-4-methoxy-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4501966

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide (CID 4634264) is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide is COc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide?
The InChIKey is SOMDCHJXBLNCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5/c1-12-3-8-16(15(19)9-12)26-11-18(23)21-20-17(22)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide?
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide has a molecular weight of 423.26 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 4634264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).