N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide

C15H15IN2O4 — CID 55332060

IUPACN'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(I)cc2)c(C)o1
InChIInChI=1S/C15H15IN2O4/c1-9-7-13(10(2)22-9)15(20)18-17-14(19)8-21-12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBSGSMMSIMJRIKB-UHFFFAOYSA-N
MW414.20 g/mol
LogP2.34
Rot. Bonds4

About N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 55332060) has the molecular formula C15H15IN2O4 and a molecular weight of 414.20 g/mol. Its IUPAC name is N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID55332060
Molecular FormulaC15H15IN2O4
Molecular Weight414.20 g/mol
Exact Mass414.01
IUPAC NameN'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(I)cc2)c(C)o1
InChIInChI=1S/C15H15IN2O4/c1-9-7-13(10(2)22-9)15(20)18-17-14(19)8-21-12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBSGSMMSIMJRIKB-UHFFFAOYSA-N
XLogP2.34
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468202
N'-[2-(2-chloro-5-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468212
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
CID 24633129
2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide
CID 51311556

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 55332060) is N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccc(I)cc2)c(C)o1.
What is the InChIKey of N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is BSGSMMSIMJRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O4/c1-9-7-13(10(2)22-9)15(20)18-17-14(19)8-21-12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 414.20 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 55332060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).