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

C17H16BrFN2O3 — CID 4629070

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H16BrFN2O3/c1-2-11-3-8-15(14(18)9-11)24-10-16(22)20-21-17(23)12-4-6-13(19)7-5-12/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeySNFPLLPOLUFADN-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.99
Rot. Bonds5

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

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide (PubChem CID 4629070) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
PubChem CID4629070
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H16BrFN2O3/c1-2-11-3-8-15(14(18)9-11)24-10-16(22)20-21-17(23)12-4-6-13(19)7-5-12/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeySNFPLLPOLUFADN-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.99
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]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141437
methyl 3-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175455
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134530
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
2-(2-bromo-4-ethylphenoxy)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]acetamide
CID 3255658
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157525
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide (CID 4629070) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide?
The InChIKey is SNFPLLPOLUFADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-2-11-3-8-15(14(18)9-11)24-10-16(22)20-21-17(23)12-4-6-13(19)7-5-12/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide has a molecular weight of 395.23 g/mol, XLogP of 2.99, 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]-4-fluorobenzohydrazide is sourced from PubChem (CID 4629070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).