N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide

C17H12BrClF3NO2 — CID 154335816

IUPACN-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1N(CC(F)(F)F)C(=O)CBr
InChIInChI=1S/C17H12BrClF3NO2/c18-9-15(24)23(10-17(20,21)22)14-8-12(19)6-7-13(14)16(25)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyFIQNNCYFEUCFCI-UHFFFAOYSA-N
MW434.64 g/mol
LogP4.86
Rot. Bonds5

About N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide

N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 154335816) has the molecular formula C17H12BrClF3NO2 and a molecular weight of 434.64 g/mol. Its IUPAC name is N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID154335816
Molecular FormulaC17H12BrClF3NO2
Molecular Weight434.64 g/mol
Exact Mass432.97
IUPAC NameN-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1N(CC(F)(F)F)C(=O)CBr
InChIInChI=1S/C17H12BrClF3NO2/c18-9-15(24)23(10-17(20,21)22)14-8-12(19)6-7-13(14)16(25)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyFIQNNCYFEUCFCI-UHFFFAOYSA-N
XLogP4.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide (CID 154335816) is N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide is O=C(c1ccccc1)c1ccc(Cl)cc1N(CC(F)(F)F)C(=O)CBr.
What is the InChIKey of N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FIQNNCYFEUCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClF3NO2/c18-9-15(24)23(10-17(20,21)22)14-8-12(19)6-7-13(14)16(25)11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 434.64 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 154335816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).