5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide

C12H11BrN2O3 — CID 726932

IUPAC5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeySUIAUFGQVQAHCZ-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.22
Rot. Bonds4

About 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide

5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 726932) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide
PubChem CID726932
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeySUIAUFGQVQAHCZ-UHFFFAOYSA-N
XLogP2.22
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.22
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-Methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 840750
5-[(4-Ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N'-(3-bromobenzoyl)furan-2-carbohydrazide
CID 795641
5-(Phenoxymethyl)furan-2-carbohydrazide
CID 2125524
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 1011402
5-((4-Fluorophenoxy)methyl)-2-furancarboxylic acid hydrazide
CID 717235
N'-(furan-2-carbonyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9476640
5-((2-Bromophenoxy)methyl)furan-2-carbohydrazide
CID 717230
5-[(4-Chlorophenoxy)methyl]furan-2-carbohydrazide
CID 726929
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 4748355
[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 4748588
5-[(2,4-Difluorophenoxy)methyl]furan-2-carbohydrazide
CID 7020951

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide (CID 726932) is 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is SUIAUFGQVQAHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide?
5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 311.14 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 726932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).