N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H11BrClF4NO — CID 107492455

IUPACN-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H11BrClF4NO/c13-4-5-19(7-12(16,17)18)11(20)6-8-9(14)2-1-3-10(8)15/h1-3H,4-7H2
InChIKeyQMXSFJOFXZBESE-UHFFFAOYSA-N
MW376.58 g/mol
LogP3.81
Rot. Bonds5

About N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107492455) has the molecular formula C12H11BrClF4NO and a molecular weight of 376.58 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107492455
Molecular FormulaC12H11BrClF4NO
Molecular Weight376.58 g/mol
Exact Mass374.96
IUPAC NameN-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H11BrClF4NO/c13-4-5-19(7-12(16,17)18)11(20)6-8-9(14)2-1-3-10(8)15/h1-3H,4-7H2
InChIKeyQMXSFJOFXZBESE-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
CID 80666192
N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492483
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492451
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
N-(2-bromoethyl)-N-[(2,6-difluorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107488454
2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63237562
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
N-(2-bromoethyl)-2-(2,6-difluorophenyl)-N-propan-2-ylacetamide
CID 80666603
1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704720
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107492455) is N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1c(F)cccc1Cl)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QMXSFJOFXZBESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClF4NO/c13-4-5-19(7-12(16,17)18)11(20)6-8-9(14)2-1-3-10(8)15/h1-3H,4-7H2.
What are the key properties of N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 376.58 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107492455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).