N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide

C11H14BrFN2O — CID 107625596

IUPACN-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,14-3)10(16)15-9-6-7(13)4-5-8(9)12/h4-6,14H,1-3H3,(H,15,16)
InChIKeyIIQUIBBWOXDOCK-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.52
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide

N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 107625596) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID107625596
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,14-3)10(16)15-9-6-7(13)4-5-8(9)12/h4-6,14H,1-3H3,(H,15,16)
InChIKeyIIQUIBBWOXDOCK-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)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

N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064
(2-bromo-5-fluorophenyl)urea
CID 99639427
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107629069
3-[(2-bromo-5-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107628841
1-(2-bromo-5-fluorophenyl)-2-tert-butylguanidine
CID 107638216
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide (CID 107625596) is N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is IIQUIBBWOXDOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,14-3)10(16)15-9-6-7(13)4-5-8(9)12/h4-6,14H,1-3H3,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 289.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 107625596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).