3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide

C16H13BrCl2N2O3 — CID 17073868

IUPAC3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C16H13BrCl2N2O3/c1-2-24-14-6-3-9(7-12(14)17)15(22)20-21-16(23)11-5-4-10(18)8-13(11)19/h3-8H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyKBFKGHCMLKWNRQ-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.23
Rot. Bonds4

About 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide

3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide (PubChem CID 17073868) has the molecular formula C16H13BrCl2N2O3 and a molecular weight of 432.10 g/mol. Its IUPAC name is 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
PubChem CID17073868
Molecular FormulaC16H13BrCl2N2O3
Molecular Weight432.10 g/mol
Exact Mass429.95
IUPAC Name3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C16H13BrCl2N2O3/c1-2-24-14-6-3-9(7-12(14)17)15(22)20-21-16(23)11-5-4-10(18)8-13(11)19/h3-8H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyKBFKGHCMLKWNRQ-UHFFFAOYSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.23
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

3-bromo-4-butoxy-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4956187
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
N-[4-[[(3-bromo-4-ethoxybenzoyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17073921
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
CID 17189044
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
N'-(2-bromo-4-fluorobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9151469

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide (CID 17073868) is 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide?
The InChIKey is KBFKGHCMLKWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O3/c1-2-24-14-6-3-9(7-12(14)17)15(22)20-21-16(23)11-5-4-10(18)8-13(11)19/h3-8H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide?
3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide has a molecular weight of 432.10 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide is sourced from PubChem (CID 17073868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).