N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

C16H22BrFN2O — CID 103280876

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C16H22BrFN2O/c1-9-7-14(18)13(17)8-15(9)19-16(21)12(4)20-10(2)5-6-11(20)3/h7-8,10-12H,5-6H2,1-4H3,(H,19,21)
InChIKeyHYLDJUPGMVGDFZ-UHFFFAOYSA-N
MW357.27 g/mol
LogP4.10
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 103280876) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
PubChem CID103280876
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C16H22BrFN2O/c1-9-7-14(18)13(17)8-15(9)19-16(21)12(4)20-10(2)5-6-11(20)3/h7-8,10-12H,5-6H2,1-4H3,(H,19,21)
InChIKeyHYLDJUPGMVGDFZ-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)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-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 107591742
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107593237
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 107592317
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
CID 107592367
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (CID 103280876) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is Cc1cc(F)c(Br)cc1NC(=O)C(C)N1C(C)CCC1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is HYLDJUPGMVGDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-9-7-14(18)13(17)8-15(9)19-16(21)12(4)20-10(2)5-6-11(20)3/h7-8,10-12H,5-6H2,1-4H3,(H,19,21).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 357.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 103280876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).