N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide

C11H12BrClFNO — CID 104776270

IUPACN-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrClFNO/c1-11(2,6-13)10(16)15-7-3-4-9(14)8(12)5-7/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyXQZJEXSZIIMIQQ-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.79
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide

N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 104776270) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
PubChem CID104776270
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrClFNO/c1-11(2,6-13)10(16)15-7-3-4-9(14)8(12)5-7/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyXQZJEXSZIIMIQQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
2-[[(3-bromo-4-fluorophenyl)carbamoylamino]methyl]-2-methylbutanoic acid
CID 104780141
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 104780103
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 115663057
N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 107582673
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide (CID 104776270) is N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is XQZJEXSZIIMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-11(2,6-13)10(16)15-7-3-4-9(14)8(12)5-7/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide?
N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 308.58 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 104776270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).