N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide

C17H11F3N2O3 — CID 45109095

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-13-7-5-11(6-8-13)16(23)22-21-10-14-9-12-3-1-2-4-15(12)24-14/h1-10H,(H,22,23)/b21-10+
InChIKeyULCPNEHOHFQPJM-UFFVCSGVSA-N
MW348.28 g/mol
LogP4.10
Rot. Bonds4

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide

N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide (PubChem CID 45109095) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide
PubChem CID45109095
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-13-7-5-11(6-8-13)16(23)22-21-10-14-9-12-3-1-2-4-15(12)24-14/h1-10H,(H,22,23)/b21-10+
InChIKeyULCPNEHOHFQPJM-UFFVCSGVSA-N
XLogP4.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide (CID 45109095) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide is O=C(N/N=C/c1cc2ccccc2o1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide?
The InChIKey is ULCPNEHOHFQPJM-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)25-13-7-5-11(6-8-13)16(23)22-21-10-14-9-12-3-1-2-4-15(12)24-14/h1-10H,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide has a molecular weight of 348.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 45109095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).