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

C18H18BrClN2O3 — CID 4938237

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-11-7-14(19)8-12(2)18(11)25-10-17(24)22-21-16(23)9-13-3-5-15(20)6-4-13/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIXIIQZVSSQUJRX-UHFFFAOYSA-N
MW425.71 g/mol
LogP3.49
Rot. Bonds5

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

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide (PubChem CID 4938237) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
PubChem CID4938237
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-11-7-14(19)8-12(2)18(11)25-10-17(24)22-21-16(23)9-13-3-5-15(20)6-4-13/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIXIIQZVSSQUJRX-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
2-(4-chlorophenyl)-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937167
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4937205
2-(4-chlorophenoxy)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]propanehydrazide
CID 4944212
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 34574346
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4509663
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513
2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4936798
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide
CID 4504590

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide (CID 4938237) is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide is Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
The InChIKey is IXIIQZVSSQUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-11-7-14(19)8-12(2)18(11)25-10-17(24)22-21-16(23)9-13-3-5-15(20)6-4-13/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide has a molecular weight of 425.71 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide is sourced from PubChem (CID 4938237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).