2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide

C16H14BrF2NO2 — CID 51236277

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C16H14BrF2NO2/c1-9-6-7-14(11(17)8-9)22-10(2)16(21)20-15-12(18)4-3-5-13(15)19/h3-8,10H,1-2H3,(H,20,21)
InChIKeyRAOJKRMVORAIAZ-UHFFFAOYSA-N
MW370.19 g/mol
LogP4.44
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide (PubChem CID 51236277) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
PubChem CID51236277
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C16H14BrF2NO2/c1-9-6-7-14(11(17)8-9)22-10(2)16(21)20-15-12(18)4-3-5-13(15)19/h3-8,10H,1-2H3,(H,20,21)
InChIKeyRAOJKRMVORAIAZ-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)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-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78888618
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide
CID 55784977
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737888
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide (CID 51236277) is 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2c(F)cccc2F)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is RAOJKRMVORAIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-9-6-7-14(11(17)8-9)22-10(2)16(21)20-15-12(18)4-3-5-13(15)19/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 370.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 51236277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).