N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide

C17H13FN2O2 — CID 3509518

IUPACN-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
SMILESCC(=NNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H13FN2O2/c1-11(16-10-13-4-2-3-5-15(13)22-16)19-20-17(21)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,20,21)
InChIKeyPYVDXISKUFWEHG-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide

N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide (PubChem CID 3509518) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
PubChem CID3509518
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
SMILESCC(=NNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H13FN2O2/c1-11(16-10-13-4-2-3-5-15(13)22-16)19-20-17(21)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,20,21)
InChIKeyPYVDXISKUFWEHG-UHFFFAOYSA-N
XLogP3.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.73
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'}

Analyze N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide 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

N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
CID 163360864
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 16556101
4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
CID 9070813
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide (CID 3509518) is N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide is CC(=NNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is PYVDXISKUFWEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11(16-10-13-4-2-3-5-15(13)22-16)19-20-17(21)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,20,21).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide?
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 296.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 3509518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).