N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H12BrClF3NO — CID 107492674

IUPACN-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C(=O)N(CCBr)CC(F)(F)F)ccc1Cl
InChIInChI=1S/C12H12BrClF3NO/c1-8-6-9(2-3-10(8)14)11(19)18(5-4-13)7-12(15,16)17/h2-3,6H,4-5,7H2,1H3
InChIKeyVLLTXOAIBXZZTJ-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.05
Rot. Bonds4

About N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492674) has the molecular formula C12H12BrClF3NO and a molecular weight of 358.59 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492674
Molecular FormulaC12H12BrClF3NO
Molecular Weight358.59 g/mol
Exact Mass356.97
IUPAC NameN-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(C(=O)N(CCBr)CC(F)(F)F)ccc1Cl
InChIInChI=1S/C12H12BrClF3NO/c1-8-6-9(2-3-10(8)14)11(19)18(5-4-13)7-12(15,16)17/h2-3,6H,4-5,7H2,1H3
InChIKeyVLLTXOAIBXZZTJ-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'}

Analyze N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide 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

4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107492122
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492483
4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 107492674) is N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(C(=O)N(CCBr)CC(F)(F)F)ccc1Cl.
What is the InChIKey of N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VLLTXOAIBXZZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClF3NO/c1-8-6-9(2-3-10(8)14)11(19)18(5-4-13)7-12(15,16)17/h2-3,6H,4-5,7H2,1H3.
What are the key properties of N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-bromoethyl)-4-chloro-3-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)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).