2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide

C10H10BrClFNO — CID 164656809

IUPAC2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1cccc(F)c1Cl
InChIInChI=1S/C10H10BrClFNO/c1-10(2,11)9(15)14-7-5-3-4-6(13)8(7)12/h3-5H,1-2H3,(H,14,15)
InChIKeyXTJXFBWXDOEDQJ-UHFFFAOYSA-N
MW294.55 g/mol
LogP3.59
Rot. Bonds2

About 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide

2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide (PubChem CID 164656809) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
PubChem CID164656809
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1cccc(F)c1Cl
InChIInChI=1S/C10H10BrClFNO/c1-10(2,11)9(15)14-7-5-3-4-6(13)8(7)12/h3-5H,1-2H3,(H,14,15)
InChIKeyXTJXFBWXDOEDQJ-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide 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-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
CID 82110411
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
N-(2-chloro-3-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 53255142
dimethyl (E)-2-(2-chloro-3-fluoroanilino)but-2-enedioate
CID 168569472
N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
CID 139526277
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
1-amino-3-(2-chloro-3-fluorophenyl)thiourea
CID 51000226
N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108966056
(2-chloro-3-fluoroanilino)sulfanium
CID 163531717

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide (CID 164656809) is 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1cccc(F)c1Cl.
What is the InChIKey of 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide?
The InChIKey is XTJXFBWXDOEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-10(2,11)9(15)14-7-5-3-4-6(13)8(7)12/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide?
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide has a molecular weight of 294.55 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 164656809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).