2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide

C9H8BrF2NO — CID 130135911

IUPAC2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide
SMILESCc1cc(C(F)(F)C(N)=O)ccc1Br
InChIInChI=1S/C9H8BrF2NO/c1-5-4-6(2-3-7(5)10)9(11,12)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKeyDIIXAPCDYBIQOG-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.33
Rot. Bonds2

About 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide

2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide (PubChem CID 130135911) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide
PubChem CID130135911
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide
SMILESCc1cc(C(F)(F)C(N)=O)ccc1Br
InChIInChI=1S/C9H8BrF2NO/c1-5-4-6(2-3-7(5)10)9(11,12)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKeyDIIXAPCDYBIQOG-UHFFFAOYSA-N
XLogP2.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide 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

2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide
CID 130136087
1-bromo-4-(2-fluoropropan-2-yl)-2-methylbenzene;ethane
CID 176941673
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
2-(3-bromo-4-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 138561704
[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate
CID 150894997
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
(4-bromo-3-methylphenyl) 2,2,2-trifluoroacetate
CID 118797027
1-bromo-4-fluoro-2-methylbenzene;tert-butyl carbamate
CID 174499911
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
CID 39058323
2-amino-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913339
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide (CID 130135911) is 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide is Cc1cc(C(F)(F)C(N)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide?
The InChIKey is DIIXAPCDYBIQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c1-5-4-6(2-3-7(5)10)9(11,12)8(13)14/h2-4H,1H3,(H2,13,14).
What are the key properties of 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide?
2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide has a molecular weight of 264.07 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 130135911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).