(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide

C10H10Br2FNO — CID 131850393

IUPAC(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@@](F)(Br)CBr
InChIInChI=1S/C10H10Br2FNO/c1-7-4-2-3-5-8(7)14-9(15)10(12,13)6-11/h2-5H,6H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyYLCWNOVXICJRLQ-SNVBAGLBSA-N
MW339.00 g/mol
LogP3.39
Rot. Bonds3

About (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide

(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide (PubChem CID 131850393) has the molecular formula C10H10Br2FNO and a molecular weight of 339.00 g/mol. Its IUPAC name is (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
PubChem CID131850393
Molecular FormulaC10H10Br2FNO
Molecular Weight339.00 g/mol
Exact Mass336.91
IUPAC Name(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@@](F)(Br)CBr
InChIInChI=1S/C10H10Br2FNO/c1-7-4-2-3-5-8(7)14-9(15)10(12,13)6-11/h2-5H,6H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyYLCWNOVXICJRLQ-SNVBAGLBSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.00
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide 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-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
CID 14154832
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987
2-bromo-2-chloro-N-(2-methylphenyl)butanamide
CID 20511611
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide?
The IUPAC name of (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide (CID 131850393) is (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@@](F)(Br)CBr.
What is the InChIKey of (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide?
The InChIKey is YLCWNOVXICJRLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10Br2FNO/c1-7-4-2-3-5-8(7)14-9(15)10(12,13)6-11/h2-5H,6H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide?
(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide has a molecular weight of 339.00 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 131850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).