2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide

C16H21BrFNO2 — CID 42990445

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CCCCC1C
InChIInChI=1S/C16H21BrFNO2/c1-10-5-3-4-6-14(10)19-16(20)11(2)21-15-8-7-12(18)9-13(15)17/h7-11,14H,3-6H2,1-2H3,(H,19,20)
InChIKeyZHLMIEIKJDYNJE-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide (PubChem CID 42990445) has the molecular formula C16H21BrFNO2 and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
PubChem CID42990445
Molecular FormulaC16H21BrFNO2
Molecular Weight358.25 g/mol
Exact Mass357.07
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CCCCC1C
InChIInChI=1S/C16H21BrFNO2/c1-10-5-3-4-6-14(10)19-16(20)11(2)21-15-8-7-12(18)9-13(15)17/h7-11,14H,3-6H2,1-2H3,(H,19,20)
InChIKeyZHLMIEIKJDYNJE-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)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-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525769
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
CID 8987313
cis-(1S,3R)-3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675875
(2R)-2-(2-bromo-4-fluorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8728717
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 119457092
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 8876115
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209
2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78872855
2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577698

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide (CID 42990445) is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is ZHLMIEIKJDYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO2/c1-10-5-3-4-6-14(10)19-16(20)11(2)21-15-8-7-12(18)9-13(15)17/h7-11,14H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 358.25 g/mol, XLogP of 4.05, 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-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 42990445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).