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

C22H18BrClN2O4 — CID 2210119

IUPACN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C22H18BrClN2O4/c23-19-12-17(24)8-11-20(19)30-14-22(28)26-25-21(27)13-29-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyGKQWOCNJZRMDQY-UHFFFAOYSA-N
MW489.75 g/mol
LogP4.37
Rot. Bonds7

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

N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide (PubChem CID 2210119) has the molecular formula C22H18BrClN2O4 and a molecular weight of 489.75 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
PubChem CID2210119
Molecular FormulaC22H18BrClN2O4
Molecular Weight489.75 g/mol
Exact Mass488.01
IUPAC NameN'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C22H18BrClN2O4/c23-19-12-17(24)8-11-20(19)30-14-22(28)26-25-21(27)13-29-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyGKQWOCNJZRMDQY-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-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
(4-phenylphenyl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 23010692
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide (CID 2210119) is N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide is O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide?
The InChIKey is GKQWOCNJZRMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O4/c23-19-12-17(24)8-11-20(19)30-14-22(28)26-25-21(27)13-29-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide?
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)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 N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide is sourced from PubChem (CID 2210119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).