N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide

C9H15BrF3NO — CID 107492479

IUPACN-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C)C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H15BrF3NO/c1-8(2,3)7(15)14(5-4-10)6-9(11,12)13/h4-6H2,1-3H3
InChIKeyHAWZJRDQNNXMJQ-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.82
Rot. Bonds3

About N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107492479) has the molecular formula C9H15BrF3NO and a molecular weight of 290.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107492479
Molecular FormulaC9H15BrF3NO
Molecular Weight290.12 g/mol
Exact Mass289.03
IUPAC NameN-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C)C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C9H15BrF3NO/c1-8(2,3)7(15)14(5-4-10)6-9(11,12)13/h4-6H2,1-3H3
InChIKeyHAWZJRDQNNXMJQ-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide 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

N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492581
N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107492651
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide
CID 107492593
N-(2-bromoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 107492515
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)heptanamide
CID 107492554
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107492620
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492451

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107492479) is N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(C)C(=O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HAWZJRDQNNXMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO/c1-8(2,3)7(15)14(5-4-10)6-9(11,12)13/h4-6H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 290.12 g/mol, XLogP of 2.82, 3 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-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107492479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).