N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide

C17H16BrFN2O4 — CID 78775232

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
SMILESO=C(CCOc1ccccc1F)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O4/c18-12-5-7-13(8-6-12)25-11-17(23)21-20-16(22)9-10-24-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyRWVICYAEXHOEMO-UHFFFAOYSA-N
MW411.23 g/mol
LogP2.58
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide (PubChem CID 78775232) has the molecular formula C17H16BrFN2O4 and a molecular weight of 411.23 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
PubChem CID78775232
Molecular FormulaC17H16BrFN2O4
Molecular Weight411.23 g/mol
Exact Mass410.03
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
SMILESO=C(CCOc1ccccc1F)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O4/c18-12-5-7-13(8-6-12)25-11-17(23)21-20-16(22)9-10-24-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyRWVICYAEXHOEMO-UHFFFAOYSA-N
XLogP2.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17357887
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
[3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-dimethylazanium
CID 9417596
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
1-bromo-4-[4-(2-fluorophenoxy)but-2-enoxy]benzene
CID 54064212
N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179158
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide (CID 78775232) is N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide is O=C(CCOc1ccccc1F)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide?
The InChIKey is RWVICYAEXHOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O4/c18-12-5-7-13(8-6-12)25-11-17(23)21-20-16(22)9-10-24-15-4-2-1-3-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide has a molecular weight of 411.23 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 78775232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).