N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C17H14F3NO4 — CID 55488412

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1cc2c(cc1NC(=O)COCC(F)(F)F)oc1ccccc12
InChIInChI=1S/C17H14F3NO4/c1-23-15-6-11-10-4-2-3-5-13(10)25-14(11)7-12(15)21-16(22)8-24-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyOHXCTLJOJLZZAQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.11
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 55488412) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID55488412
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1cc2c(cc1NC(=O)COCC(F)(F)F)oc1ccccc12
InChIInChI=1S/C17H14F3NO4/c1-23-15-6-11-10-4-2-3-5-13(10)25-14(11)7-12(15)21-16(22)8-24-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyOHXCTLJOJLZZAQ-UHFFFAOYSA-N
XLogP4.11
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 55488412) is N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is COc1cc2c(cc1NC(=O)COCC(F)(F)F)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is OHXCTLJOJLZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-23-15-6-11-10-4-2-3-5-13(10)25-14(11)7-12(15)21-16(22)8-24-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 353.30 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 55488412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).