N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H12BrClF3NO — CID 107492398

IUPACN-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H12BrClF3NO/c1-8-9(3-2-4-10(8)14)11(19)18(6-5-13)7-12(15,16)17/h2-4H,5-7H2,1H3
InChIKeyYZRUHRSQJADJPL-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.05
Rot. Bonds4

About N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492398) has the molecular formula C12H12BrClF3NO and a molecular weight of 358.59 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492398
Molecular FormulaC12H12BrClF3NO
Molecular Weight358.59 g/mol
Exact Mass356.97
IUPAC NameN-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H12BrClF3NO/c1-8-9(3-2-4-10(8)14)11(19)18(6-5-13)7-12(15,16)17/h2-4H,5-7H2,1H3
InChIKeyYZRUHRSQJADJPL-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.05
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)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492455
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
N-(1-bromo-2-methylpropan-2-yl)-3-chloro-N,2-dimethylbenzamide
CID 107100236
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492451
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 107492398) is N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1c(Cl)cccc1C(=O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YZRUHRSQJADJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO/c1-8-9(3-2-4-10(8)14)11(19)18(6-5-13)7-12(15,16)17/h2-4H,5-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 358.59 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).