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

C16H13BrF2N2O4 — CID 26929895

IUPACN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrF2N2O4/c17-10-1-6-14(13(19)7-10)25-9-16(23)21-20-15(22)8-24-12-4-2-11(18)3-5-12/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyJLHVEQMIINETBO-UHFFFAOYSA-N
MW415.19 g/mol
LogP2.33
Rot. Bonds6

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

N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide (PubChem CID 26929895) has the molecular formula C16H13BrF2N2O4 and a molecular weight of 415.19 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
PubChem CID26929895
Molecular FormulaC16H13BrF2N2O4
Molecular Weight415.19 g/mol
Exact Mass414.00
IUPAC NameN'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrF2N2O4/c17-10-1-6-14(13(19)7-10)25-9-16(23)21-20-15(22)8-24-12-4-2-11(18)3-5-12/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyJLHVEQMIINETBO-UHFFFAOYSA-N
XLogP2.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 34574346
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-cyanophenoxy)propanehydrazide
CID 4855794
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 17189052
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 27716942
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide (CID 26929895) is N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide?
The InChIKey is JLHVEQMIINETBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O4/c17-10-1-6-14(13(19)7-10)25-9-16(23)21-20-15(22)8-24-12-4-2-11(18)3-5-12/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide?
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide has a molecular weight of 415.19 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide is sourced from PubChem (CID 26929895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).