N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide

C17H16BrClN2O3 — CID 4629077

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H16BrClN2O3/c1-2-11-7-8-15(13(18)9-11)24-10-16(22)20-21-17(23)12-5-3-4-6-14(12)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyOEJDLZCZFHBOGY-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.50
Rot. Bonds5

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide (PubChem CID 4629077) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
PubChem CID4629077
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H16BrClN2O3/c1-2-11-7-8-15(13(18)9-11)24-10-16(22)20-21-17(23)12-5-3-4-6-14(12)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyOEJDLZCZFHBOGY-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.50
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-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
methyl 3-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175455
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide (CID 4629077) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide?
The InChIKey is OEJDLZCZFHBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-2-11-7-8-15(13(18)9-11)24-10-16(22)20-21-17(23)12-5-3-4-6-14(12)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide has a molecular weight of 411.68 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 4629077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).