2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide

C11H13BrFNO — CID 82109819

IUPAC2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCc1ccccc1F
InChIInChI=1S/C11H13BrFNO/c1-11(2,12)10(15)14-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySLVIWRNQXPDPNU-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.62
Rot. Bonds3

About 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide

2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 82109819) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID82109819
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCc1ccccc1F
InChIInChI=1S/C11H13BrFNO/c1-11(2,12)10(15)14-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySLVIWRNQXPDPNU-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.62
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

2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961810
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
3-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108962428
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
ethyl 2,2-difluoro-3-[(2-fluorophenyl)methylamino]-3-oxopropanoate
CID 112743058
N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide (CID 82109819) is 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide is CC(C)(Br)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is SLVIWRNQXPDPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(2,12)10(15)14-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide?
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 274.13 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 82109819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).