2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide

C12H10BrClN2O3 — CID 63574643

IUPAC2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O3/c13-9-5-7(14)1-2-10(9)19-6-11-8(3-4-18-11)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyFTVADTGIQVTVNO-UHFFFAOYSA-N
MW345.58 g/mol
LogP2.88
Rot. Bonds4

About 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide

2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63574643) has the molecular formula C12H10BrClN2O3 and a molecular weight of 345.58 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
PubChem CID63574643
Molecular FormulaC12H10BrClN2O3
Molecular Weight345.58 g/mol
Exact Mass343.96
IUPAC Name2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O3/c13-9-5-7(14)1-2-10(9)19-6-11-8(3-4-18-11)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyFTVADTGIQVTVNO-UHFFFAOYSA-N
XLogP2.88
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 52.88
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

2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carboxylic acid
CID 43394473
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
3-[(2-bromo-4-chlorophenoxy)methyl]furan-2-carboxylic acid
CID 43235621
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 103589511

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide (CID 63574643) is 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is FTVADTGIQVTVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3/c13-9-5-7(14)1-2-10(9)19-6-11-8(3-4-18-11)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide?
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 345.58 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63574643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).