2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide

C11H10BrFN2O — CID 114328975

IUPAC2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C11H10BrFN2O/c1-11(2,12)10(16)15-9-4-3-7(6-14)5-8(9)13/h3-5H,1-2H3,(H,15,16)
InChIKeyQKRBIRZCCXLVIG-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.81
Rot. Bonds2

About 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide

2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide (PubChem CID 114328975) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
PubChem CID114328975
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C11H10BrFN2O/c1-11(2,12)10(16)15-9-4-3-7(6-14)5-8(9)13/h3-5H,1-2H3,(H,15,16)
InChIKeyQKRBIRZCCXLVIG-UHFFFAOYSA-N
XLogP2.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
N-(4-ethynyl-2-fluorophenyl)-2,2-dimethylpropanamide
CID 139782044
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-(4-cyano-2-fluoroanilino)-4-methylpentanoic acid
CID 62042864
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2-(4-cyano-2-fluoroanilino)-2-phenylpropanoic acid
CID 62489235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide (CID 114328975) is 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide?
The InChIKey is QKRBIRZCCXLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-11(2,12)10(16)15-9-4-3-7(6-14)5-8(9)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide?
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide has a molecular weight of 285.12 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 114328975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).