N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide

C16H11FN2O2 — CID 45109172

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1cccc(F)c1
InChIInChI=1S/C16H11FN2O2/c17-13-6-3-5-12(8-13)16(20)19-18-10-14-9-11-4-1-2-7-15(11)21-14/h1-10H,(H,19,20)/b18-10+
InChIKeyJIYSUBLGRVBOKT-VCHYOVAHSA-N
MW282.27 g/mol
LogP3.34
Rot. Bonds3

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide

N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide (PubChem CID 45109172) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide
PubChem CID45109172
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1cccc(F)c1
InChIInChI=1S/C16H11FN2O2/c17-13-6-3-5-12(8-13)16(20)19-18-10-14-9-11-4-1-2-7-15(11)21-14/h1-10H,(H,19,20)/b18-10+
InChIKeyJIYSUBLGRVBOKT-VCHYOVAHSA-N
XLogP3.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide (CID 45109172) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide is O=C(N/N=C/c1cc2ccccc2o1)c1cccc(F)c1.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide?
The InChIKey is JIYSUBLGRVBOKT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-6-3-5-12(8-13)16(20)19-18-10-14-9-11-4-1-2-7-15(11)21-14/h1-10H,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide has a molecular weight of 282.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 45109172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).