N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide

C11H13BrFNO — CID 63939054

IUPACN-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO/c1-11(2,3)10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyAISFHLLXNHSMRK-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.57
Rot. Bonds1

About N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide

N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 63939054) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID63939054
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO/c1-11(2,3)10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyAISFHLLXNHSMRK-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide 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-(5-bromo-2-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302137
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
CID 11289508
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide
CID 99636400
4-(5-bromo-2-fluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991537
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropanoic acid
CID 79623525
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116654301
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide (CID 63939054) is N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is AISFHLLXNHSMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(2,3)10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide?
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 274.13 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63939054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).