N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide

C18H10F9N3O4 — CID 2832544

IUPACN-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c2)cc1)C(F)(F)F
InChIInChI=1S/C18H10F9N3O4/c19-16(20,21)13(31)28-8-1-3-9(4-2-8)34-10-5-6-11(29-14(32)17(22,23)24)12(7-10)30-15(33)18(25,26)27/h1-7H,(H,28,31)(H,29,32)(H,30,33)
InChIKeyGEDSPULRYXFOLZ-UHFFFAOYSA-N
MW503.28 g/mol
LogP4.98
Rot. Bonds5

About N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide

N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 2832544) has the molecular formula C18H10F9N3O4 and a molecular weight of 503.28 g/mol. Its IUPAC name is N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide
PubChem CID2832544
Molecular FormulaC18H10F9N3O4
Molecular Weight503.28 g/mol
Exact Mass503.05
IUPAC NameN-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c2)cc1)C(F)(F)F
InChIInChI=1S/C18H10F9N3O4/c19-16(20,21)13(31)28-8-1-3-9(4-2-8)34-10-5-6-11(29-14(32)17(22,23)24)12(7-10)30-15(33)18(25,26)27/h1-7H,(H,28,31)(H,29,32)(H,30,33)
InChIKeyGEDSPULRYXFOLZ-UHFFFAOYSA-N
XLogP4.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.28
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide (CID 2832544) is N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Oc2ccc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is GEDSPULRYXFOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F9N3O4/c19-16(20,21)13(31)28-8-1-3-9(4-2-8)34-10-5-6-11(29-14(32)17(22,23)24)12(7-10)30-15(33)18(25,26)27/h1-7H,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 503.28 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,4-bis[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2832544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).