5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide

C12H9BrF2N2O3 — CID 107101927

IUPAC5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C12H9BrF2N2O3/c13-7-2-9(14)11(15)10(3-7)20-5-8-1-6(4-19-8)12(18)17-16/h1-4H,5,16H2,(H,17,18)
InChIKeyWPCAEQZFIREVQN-UHFFFAOYSA-N
MW347.12 g/mol
LogP2.50
Rot. Bonds4

About 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide

5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 107101927) has the molecular formula C12H9BrF2N2O3 and a molecular weight of 347.12 g/mol. Its IUPAC name is 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
PubChem CID107101927
Molecular FormulaC12H9BrF2N2O3
Molecular Weight347.12 g/mol
Exact Mass345.98
IUPAC Name5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C12H9BrF2N2O3/c13-7-2-9(14)11(15)10(3-7)20-5-8-1-6(4-19-8)12(18)17-16/h1-4H,5,16H2,(H,17,18)
InChIKeyWPCAEQZFIREVQN-UHFFFAOYSA-N
XLogP2.50
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107101923
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107101510
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide (CID 107101927) is 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2cc(Br)cc(F)c2F)c1.
What is the InChIKey of 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is WPCAEQZFIREVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O3/c13-7-2-9(14)11(15)10(3-7)20-5-8-1-6(4-19-8)12(18)17-16/h1-4H,5,16H2,(H,17,18).
What are the key properties of 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide?
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 347.12 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 107101927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).