N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H8BrClF3NO — CID 165145503

IUPACN-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1cc(Cl)ccc1Br)C(F)(F)F
InChIInChI=1S/C10H8BrClF3NO/c11-8-2-1-7(12)5-6(8)3-4-16-9(17)10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyQQRODNOEBLTVMX-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.32
Rot. Bonds3

About N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 165145503) has the molecular formula C10H8BrClF3NO and a molecular weight of 330.53 g/mol. Its IUPAC name is N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID165145503
Molecular FormulaC10H8BrClF3NO
Molecular Weight330.53 g/mol
Exact Mass328.94
IUPAC NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1cc(Cl)ccc1Br)C(F)(F)F
InChIInChI=1S/C10H8BrClF3NO/c11-8-2-1-7(12)5-6(8)3-4-16-9(17)10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyQQRODNOEBLTVMX-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 165145503) is N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCc1cc(Cl)ccc1Br)C(F)(F)F.
What is the InChIKey of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is QQRODNOEBLTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO/c11-8-2-1-7(12)5-6(8)3-4-16-9(17)10(13,14)15/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 330.53 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 165145503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).