N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide

C16H13BrClFN2O3 — CID 34574346

IUPACN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
SMILESO=C(COc1ccc(Br)cc1F)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClFN2O3/c17-11-3-6-14(13(19)8-11)24-9-16(23)21-20-15(22)7-10-1-4-12(18)5-2-10/h1-6,8H,7,9H2,(H,20,22)(H,21,23)
InChIKeyNZOYUFLFPOFWQN-UHFFFAOYSA-N
MW415.65 g/mol
LogP3.01
Rot. Bonds5

About N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide

N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide (PubChem CID 34574346) has the molecular formula C16H13BrClFN2O3 and a molecular weight of 415.65 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
PubChem CID34574346
Molecular FormulaC16H13BrClFN2O3
Molecular Weight415.65 g/mol
Exact Mass413.98
IUPAC NameN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
SMILESO=C(COc1ccc(Br)cc1F)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClFN2O3/c17-11-3-6-14(13(19)8-11)24-9-16(23)21-20-15(22)7-10-1-4-12(18)5-2-10/h1-6,8H,7,9H2,(H,20,22)(H,21,23)
InChIKeyNZOYUFLFPOFWQN-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 53.01
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-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4937205
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 4938237
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 17189052
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
N-(5-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 43376777

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide (CID 34574346) is N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide is O=C(COc1ccc(Br)cc1F)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
The InChIKey is NZOYUFLFPOFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O3/c17-11-3-6-14(13(19)8-11)24-9-16(23)21-20-15(22)7-10-1-4-12(18)5-2-10/h1-6,8H,7,9H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide?
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide has a molecular weight of 415.65 g/mol, XLogP of 3.01, 5 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-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide is sourced from PubChem (CID 34574346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).