3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one

C16H13ClN2O2 — CID 3389277

IUPAC3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one
SMILESNN=C(CC1OC(=O)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-11-7-5-10(6-8-11)14(19-18)9-15-12-3-1-2-4-13(12)16(20)21-15/h1-8,15H,9,18H2
InChIKeyILRCNAQGGFOBCO-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.30
Rot. Bonds3

About 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one

3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one (PubChem CID 3389277) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one
PubChem CID3389277
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one
SMILESNN=C(CC1OC(=O)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-11-7-5-10(6-8-11)14(19-18)9-15-12-3-1-2-4-13(12)16(20)21-15/h1-8,15H,9,18H2
InChIKeyILRCNAQGGFOBCO-UHFFFAOYSA-N
XLogP3.30
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one (CID 3389277) is 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one is NN=C(CC1OC(=O)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one?
The InChIKey is ILRCNAQGGFOBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-11-7-5-10(6-8-11)14(19-18)9-15-12-3-1-2-4-13(12)16(20)21-15/h1-8,15H,9,18H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one?
3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one has a molecular weight of 300.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-hydrazinylideneethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).