N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C12H12BrClF3NO2 — CID 107492685

IUPACN-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H12BrClF3NO2/c13-4-5-18(8-12(15,16)17)11(19)7-20-10-3-1-2-9(14)6-10/h1-3,6H,4-5,7-8H2
InChIKeyFWYSWEMTBCGRGQ-UHFFFAOYSA-N
MW374.58 g/mol
LogP3.50
Rot. Bonds6

About N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107492685) has the molecular formula C12H12BrClF3NO2 and a molecular weight of 374.58 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107492685
Molecular FormulaC12H12BrClF3NO2
Molecular Weight374.58 g/mol
Exact Mass372.97
IUPAC NameN-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H12BrClF3NO2/c13-4-5-18(8-12(15,16)17)11(19)7-20-10-3-1-2-9(14)6-10/h1-3,6H,4-5,7-8H2
InChIKeyFWYSWEMTBCGRGQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265064
3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857303
N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531141
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492455
2-[2-(3-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485888
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 104555981
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
N-(2-bromo-3-methoxypropyl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 80671968
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide
CID 102872110

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 107492685) is N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1cccc(Cl)c1)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FWYSWEMTBCGRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO2/c13-4-5-18(8-12(15,16)17)11(19)7-20-10-3-1-2-9(14)6-10/h1-3,6H,4-5,7-8H2.
What are the key properties of N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 374.58 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107492685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).