N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H8BrClF3NO — CID 175517960

IUPACN-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H8BrClF3NO/c1-5(16-9(17)10(13,14)15)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,16,17)
InChIKeyHQXHZNOXMSIIDO-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.84
Rot. Bonds2

About N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 175517960) has the molecular formula C10H8BrClF3NO and a molecular weight of 330.53 g/mol. Its IUPAC name is N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID175517960
Molecular FormulaC10H8BrClF3NO
Molecular Weight330.53 g/mol
Exact Mass328.94
IUPAC NameN-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H8BrClF3NO/c1-5(16-9(17)10(13,14)15)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,16,17)
InChIKeyHQXHZNOXMSIIDO-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)ethylhydrazine
CID 107996612
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
N-[(1S)-1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651376
N-[1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21035256
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81489203
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
N-[1-(2-bromo-4-chlorophenyl)ethyl]-4-(4-fluorophenyl)aniline
CID 71060075
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 175517960) is N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is HQXHZNOXMSIIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO/c1-5(16-9(17)10(13,14)15)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,16,17).
What are the key properties of N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 330.53 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 175517960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).