N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide

C16H14BrF2NO2 — CID 55424008

IUPACN-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C16H14BrF2NO2/c1-9-3-6-15(12(17)7-9)20-16(21)10(2)22-11-4-5-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyHVEPLNNCQMAZFX-UHFFFAOYSA-N
MW370.19 g/mol
LogP4.44
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide

N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide (PubChem CID 55424008) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
PubChem CID55424008
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C16H14BrF2NO2/c1-9-3-6-15(12(17)7-9)20-16(21)10(2)22-11-4-5-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyHVEPLNNCQMAZFX-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 N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)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

(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
2-(1,3-benzodioxol-5-yloxy)-N-(2-bromo-4-methylphenyl)propanamide
CID 45147847
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 51166464
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide (CID 55424008) is N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(F)c(F)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is HVEPLNNCQMAZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-9-3-6-15(12(17)7-9)20-16(21)10(2)22-11-4-5-13(18)14(19)8-11/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide?
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)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 N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 55424008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).