[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine

C14H19ClN2O3 — CID 105246260

IUPAC[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H19ClN2O3/c1-3-18-14(19-4-2)13(17-16)12-8-9-7-10(15)5-6-11(9)20-12/h5-8,13-14,17H,3-4,16H2,1-2H3
InChIKeyKGJYVSQWWPFRDK-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.99
Rot. Bonds7

About [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine

[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine (PubChem CID 105246260) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
PubChem CID105246260
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H19ClN2O3/c1-3-18-14(19-4-2)13(17-16)12-8-9-7-10(15)5-6-11(9)20-12/h5-8,13-14,17H,3-4,16H2,1-2H3
InChIKeyKGJYVSQWWPFRDK-UHFFFAOYSA-N
XLogP2.99
TPSA69.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
CID 114729838
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine?
The IUPAC name of [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine (CID 105246260) is [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine?
The canonical SMILES for [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine is CCOC(OCC)C(NN)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine?
The InChIKey is KGJYVSQWWPFRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-18-14(19-4-2)13(17-16)12-8-9-7-10(15)5-6-11(9)20-12/h5-8,13-14,17H,3-4,16H2,1-2H3.
What are the key properties of [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine?
[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine has a molecular weight of 298.77 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine is sourced from PubChem (CID 105246260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).