2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide

C24H14F6N2O4 — CID 2849030

IUPAC2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide
SMILESO=C1OC(c2ccc(NC(=O)C(F)(F)F)cc2)(c2ccc(NC(=O)C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C24H14F6N2O4/c25-23(26,27)20(34)31-15-9-5-13(6-10-15)22(18-4-2-1-3-17(18)19(33)36-22)14-7-11-16(12-8-14)32-21(35)24(28,29)30/h1-12H,(H,31,34)(H,32,35)
InChIKeyWODDEYUXUGDSMO-UHFFFAOYSA-N
MW508.37 g/mol
LogP5.15
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide (PubChem CID 2849030) has the molecular formula C24H14F6N2O4 and a molecular weight of 508.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide
PubChem CID2849030
Molecular FormulaC24H14F6N2O4
Molecular Weight508.37 g/mol
Exact Mass508.09
IUPAC Name2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide
SMILESO=C1OC(c2ccc(NC(=O)C(F)(F)F)cc2)(c2ccc(NC(=O)C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C24H14F6N2O4/c25-23(26,27)20(34)31-15-9-5-13(6-10-15)22(18-4-2-1-3-17(18)19(33)36-22)14-7-11-16(12-8-14)32-21(35)24(28,29)30/h1-12H,(H,31,34)(H,32,35)
InChIKeyWODDEYUXUGDSMO-UHFFFAOYSA-N
XLogP5.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.37
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide (CID 2849030) is 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide is O=C1OC(c2ccc(NC(=O)C(F)(F)F)cc2)(c2ccc(NC(=O)C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide?
The InChIKey is WODDEYUXUGDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O4/c25-23(26,27)20(34)31-15-9-5-13(6-10-15)22(18-4-2-1-3-17(18)19(33)36-22)14-7-11-16(12-8-14)32-21(35)24(28,29)30/h1-12H,(H,31,34)(H,32,35).
What are the key properties of 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide has a molecular weight of 508.37 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[3-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-benzofuran-1-yl]phenyl]acetamide is sourced from PubChem (CID 2849030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).