N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H11BrCl2F3NO — CID 107492483

IUPACN-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H11BrCl2F3NO/c13-3-4-19(7-12(16,17)18)11(20)6-8-1-2-9(14)10(15)5-8/h1-2,5H,3-4,6-7H2
InChIKeyFUYFGYJNYLSGPO-UHFFFAOYSA-N
MW393.03 g/mol
LogP4.32
Rot. Bonds5

About N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107492483) has the molecular formula C12H11BrCl2F3NO and a molecular weight of 393.03 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107492483
Molecular FormulaC12H11BrCl2F3NO
Molecular Weight393.03 g/mol
Exact Mass390.94
IUPAC NameN-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CCBr)CC(F)(F)F
InChIInChI=1S/C12H11BrCl2F3NO/c13-3-4-19(7-12(16,17)18)11(20)6-8-1-2-9(14)10(15)5-8/h1-2,5H,3-4,6-7H2
InChIKeyFUYFGYJNYLSGPO-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.03
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-Dichloro-phenyl)-N-(1-dimethylaminomethyl-2-methyl-propyl)-N-methyl-acetamide
CID 15130823
2-(3,4-Dichloro-phenyl)-N-methyl-N-{2-methyl-1-[(methyl-propyl-amino)-methyl]-propyl}-acetamide
CID 15130824
2-(3,4-Dichloro-phenyl)-N-{1-[(isopropyl-methyl-amino)-methyl]-2-methyl-propyl}-N-methyl-acetamide
CID 15130825
2-(3,4-Dichloro-phenyl)-N-(1-diethylaminomethyl-2-methyl-propyl)-N-methyl-acetamide
CID 15130826
2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
CID 398830
3,4-Dichloro-N,N-diethylhydrocinnamamide
CID 5235671
N-(3,4-dichlorophenethyl)-2,2,2-trifluoroacetamide
CID 57692457
2-(4-chlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
CID 125484423
2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 60558429
Piperazine, 1-[5-fluoropentyl]-4-[(3,4-dichlorophenyl)acetyl]-
CID 537345
2-(4-chlorophenyl)-2,2-difluoro-N,N-dimethylacetamide
CID 9878006
2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 58376093

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107492483) is N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FUYFGYJNYLSGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2F3NO/c13-3-4-19(7-12(16,17)18)11(20)6-8-1-2-9(14)10(15)5-8/h1-2,5H,3-4,6-7H2.
What are the key properties of N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 393.03 g/mol, XLogP of 4.32, 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-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107492483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).