N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide

C17H16BrClN2O3 — CID 9276630

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C17H16BrClN2O3/c1-10-3-5-13(11(2)7-10)17(23)21-20-16(22)9-24-15-6-4-12(18)8-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJYZGTBYNSOVGKU-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.56
Rot. Bonds4

About N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276630) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
PubChem CID9276630
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C17H16BrClN2O3/c1-10-3-5-13(11(2)7-10)17(23)21-20-16(22)9-24-15-6-4-12(18)8-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJYZGTBYNSOVGKU-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.56
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

2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
2-(4-bromo-2-chlorophenoxy)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3289773
(2,5-dimethylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 23011161
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17094394
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6170411
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-methylbenzamide
CID 3363686

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide (CID 9276630) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(C)c1.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is JYZGTBYNSOVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-10-3-5-13(11(2)7-10)17(23)21-20-16(22)9-24-15-6-4-12(18)8-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 411.68 g/mol, XLogP of 3.56, 4 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-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).