N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide

C17H19BrN2O4 — CID 9468202

IUPACN'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCOc2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C17H19BrN2O4/c1-11-10-15(12(2)24-11)17(22)20-19-16(21)4-3-9-23-14-7-5-13(18)6-8-14/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyASNQQARAIVWAID-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.28
Rot. Bonds6

About N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9468202) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9468202
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC NameN'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCOc2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C17H19BrN2O4/c1-11-10-15(12(2)24-11)17(22)20-19-16(21)4-3-9-23-14-7-5-13(18)6-8-14/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyASNQQARAIVWAID-UHFFFAOYSA-N
XLogP3.28
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9084951
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 26820776
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
CID 9359002
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide
CID 55375532

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9468202) is N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCCOc2ccc(Br)cc2)c(C)o1.
What is the InChIKey of N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is ASNQQARAIVWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-11-10-15(12(2)24-11)17(22)20-19-16(21)4-3-9-23-14-7-5-13(18)6-8-14/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 395.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9468202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).