5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C22H19BrN2O4 — CID 17094335

IUPAC5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19BrN2O4/c1-28-19-12-11-16(23)13-18(19)22(27)25-24-21(26)14-29-20-10-6-5-9-17(20)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyJGOGWDILRSBYOZ-UHFFFAOYSA-N
MW455.31 g/mol
LogP3.96
Rot. Bonds6

About 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 17094335) has the molecular formula C22H19BrN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID17094335
Molecular FormulaC22H19BrN2O4
Molecular Weight455.31 g/mol
Exact Mass454.05
IUPAC Name5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19BrN2O4/c1-28-19-12-11-16(23)13-18(19)22(27)25-24-21(26)14-29-20-10-6-5-9-17(20)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyJGOGWDILRSBYOZ-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 53.96
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

4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-(difluoromethoxy)-3-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 55333264
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17094394
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 17094335) is 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is JGOGWDILRSBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4/c1-28-19-12-11-16(23)13-18(19)22(27)25-24-21(26)14-29-20-10-6-5-9-17(20)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 455.31 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17094335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).