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

C18H19BrN2O3 — CID 3341673

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-12-8-15(19)9-13(2)18(12)24-11-17(23)21-20-16(22)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXMAOFVQAEOKNTK-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.83
Rot. Bonds5

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

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide (PubChem CID 3341673) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
PubChem CID3341673
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H19BrN2O3/c1-12-8-15(19)9-13(2)18(12)24-11-17(23)21-20-16(22)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXMAOFVQAEOKNTK-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.83
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-(4-chlorophenyl)acetohydrazide
CID 4938237
N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-phenylethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 4945265
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131419
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
ethyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932710
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide (CID 3341673) is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide is Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
The InChIKey is XMAOFVQAEOKNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-8-15(19)9-13(2)18(12)24-11-17(23)21-20-16(22)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide has a molecular weight of 391.27 g/mol, XLogP of 2.83, 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-phenylacetohydrazide is sourced from PubChem (CID 3341673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).