2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H9BrClF3N2O — CID 83231123

IUPAC2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClF3N2O/c11-6-3-5(1-2-7(6)12)8(9(16)18)17-4-10(13,14)15/h1-3,8,17H,4H2,(H2,16,18)
InChIKeyORFUXLVIYQHYJR-UHFFFAOYSA-N
MW345.55 g/mol
LogP2.78
Rot. Bonds4

About 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 83231123) has the molecular formula C10H9BrClF3N2O and a molecular weight of 345.55 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID83231123
Molecular FormulaC10H9BrClF3N2O
Molecular Weight345.55 g/mol
Exact Mass343.95
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClF3N2O/c11-6-3-5(1-2-7(6)12)8(9(16)18)17-4-10(13,14)15/h1-3,8,17H,4H2,(H2,16,18)
InChIKeyORFUXLVIYQHYJR-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 83231123) is 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ORFUXLVIYQHYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF3N2O/c11-6-3-5(1-2-7(6)12)8(9(16)18)17-4-10(13,14)15/h1-3,8,17H,4H2,(H2,16,18).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 345.55 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 83231123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).