3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide

C17H17BrFNO — CID 81458555

IUPAC3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccccc2F)cc1Br
InChIInChI=1S/C17H17BrFNO/c1-11-8-9-13(10-15(11)18)17(21)20(3)12(2)14-6-4-5-7-16(14)19/h4-10,12H,1-3H3
InChIKeyXYBORNQHVGPCQM-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide

3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide (PubChem CID 81458555) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
PubChem CID81458555
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccccc2F)cc1Br
InChIInChI=1S/C17H17BrFNO/c1-11-8-9-13(10-15(11)18)17(21)20(3)12(2)14-6-4-5-7-16(14)19/h4-10,12H,1-3H3
InChIKeyXYBORNQHVGPCQM-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide 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

3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103865191
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
CID 107029072
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81472617
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide (CID 81458555) is 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(C)c2ccccc2F)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
The InChIKey is XYBORNQHVGPCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11-8-9-13(10-15(11)18)17(21)20(3)12(2)14-6-4-5-7-16(14)19/h4-10,12H,1-3H3.
What are the key properties of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide?
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 81458555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).