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

C22H18BrClN2O4 — CID 3479657

IUPAC2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18BrClN2O4/c23-18-12-16(24)10-11-20(18)30-14-22(28)26-25-21(27)13-29-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyIWKYQORRQGUXEG-UHFFFAOYSA-N
MW489.75 g/mol
LogP4.37
Rot. Bonds7

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

2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 3479657) has the molecular formula C22H18BrClN2O4 and a molecular weight of 489.75 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID3479657
Molecular FormulaC22H18BrClN2O4
Molecular Weight489.75 g/mol
Exact Mass488.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18BrClN2O4/c23-18-12-16(24)10-11-20(18)30-14-22(28)26-25-21(27)13-29-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyIWKYQORRQGUXEG-UHFFFAOYSA-N
XLogP4.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.75
LogP ≤ 54.37
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-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
(2-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010693
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 3479657) is 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is IWKYQORRQGUXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O4/c23-18-12-16(24)10-11-20(18)30-14-22(28)26-25-21(27)13-29-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 489.75 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 3479657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).