2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide

C18H13F3N2O3 — CID 4008216

IUPAC2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=NOCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1
InChIInChI=1S/C18H13F3N2O3/c1-10(15-8-11-4-2-3-5-14(11)26-15)23-25-9-16(24)22-13-7-6-12(19)17(20)18(13)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyCQFKEMYBTLNZQA-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.23
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4008216) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4008216
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=NOCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1
InChIInChI=1S/C18H13F3N2O3/c1-10(15-8-11-4-2-3-5-14(11)26-15)23-25-9-16(24)22-13-7-6-12(19)17(20)18(13)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyCQFKEMYBTLNZQA-UHFFFAOYSA-N
XLogP4.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide 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

[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1-benzofuran-2-carboxylate
CID 7194079
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 86916154
(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 139086407
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193998
1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
CID 5136485
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate
CID 7698478
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376958
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide (CID 4008216) is 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide is CC(=NOCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is CQFKEMYBTLNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-10(15-8-11-4-2-3-5-14(11)26-15)23-25-9-16(24)22-13-7-6-12(19)17(20)18(13)21/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 362.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4008216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).