5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide

C13H12BrFN2O3 — CID 83234267

IUPAC5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(COc2ccc(F)c(Br)c2)oc1C(=O)NN
InChIInChI=1S/C13H12BrFN2O3/c1-7-4-9(20-12(7)13(18)17-16)6-19-8-2-3-11(15)10(14)5-8/h2-5H,6,16H2,1H3,(H,17,18)
InChIKeyUPYGWALNMSAUBP-UHFFFAOYSA-N
MW343.15 g/mol
LogP2.67
Rot. Bonds4

About 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide

5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 83234267) has the molecular formula C13H12BrFN2O3 and a molecular weight of 343.15 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID83234267
Molecular FormulaC13H12BrFN2O3
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(COc2ccc(F)c(Br)c2)oc1C(=O)NN
InChIInChI=1S/C13H12BrFN2O3/c1-7-4-9(20-12(7)13(18)17-16)6-19-8-2-3-11(15)10(14)5-8/h2-5H,6,16H2,1H3,(H,17,18)
InChIKeyUPYGWALNMSAUBP-UHFFFAOYSA-N
XLogP2.67
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63570196
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-3-methylfuran-2-carbohydrazide
CID 63574877
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(2,4-dibromophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574546
N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 83233998
5-[[3-(methoxymethyl)phenoxy]methyl]-3-methylfuran-2-carbohydrazide
CID 63985457
5-[(2,5-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63575292
5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 107693729
2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
5-[(3-bromo-4-fluorophenoxy)methyl]furan-2-carboxylic acid
CID 83233800
5-[(3-methoxyphenyl)methoxymethyl]-3-methylfuran-2-carbohydrazide
CID 63588133
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide (CID 83234267) is 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(COc2ccc(F)c(Br)c2)oc1C(=O)NN.
What is the InChIKey of 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is UPYGWALNMSAUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3/c1-7-4-9(20-12(7)13(18)17-16)6-19-8-2-3-11(15)10(14)5-8/h2-5H,6,16H2,1H3,(H,17,18).
What are the key properties of 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide?
5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 343.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 83234267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).