N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide

C16H6Br4F6N2O2 — CID 11331444

IUPACN-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H6Br4F6N2O2/c17-5-1-7(11(9(19)3-5)27-13(29)15(21,22)23)8-2-6(18)4-10(20)12(8)28-14(30)16(24,25)26/h1-4H,(H,27,29)(H,28,30)
InChIKeyJJUOCFCLMPJYBY-UHFFFAOYSA-N
MW691.84 g/mol
LogP7.41
Rot. Bonds3

About N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide

N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 11331444) has the molecular formula C16H6Br4F6N2O2 and a molecular weight of 691.84 g/mol. Its IUPAC name is N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID11331444
Molecular FormulaC16H6Br4F6N2O2
Molecular Weight691.84 g/mol
Exact Mass687.71
IUPAC NameN-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H6Br4F6N2O2/c17-5-1-7(11(9(19)3-5)27-13(29)15(21,22)23)8-2-6(18)4-10(20)12(8)28-14(30)16(24,25)26/h1-4H,(H,27,29)(H,28,30)
InChIKeyJJUOCFCLMPJYBY-UHFFFAOYSA-N
XLogP7.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide (CID 11331444) is N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1NC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is JJUOCFCLMPJYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Br4F6N2O2/c17-5-1-7(11(9(19)3-5)27-13(29)15(21,22)23)8-2-6(18)4-10(20)12(8)28-14(30)16(24,25)26/h1-4H,(H,27,29)(H,28,30).
What are the key properties of N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide?
N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 691.84 g/mol, XLogP of 7.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11331444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).