2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C14H19BrFNO3 — CID 111663126

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C14H19BrFNO3/c1-9(13(18)17(4)8-14(2,3)19)20-12-6-5-10(16)7-11(12)15/h5-7,9,19H,8H2,1-4H3
InChIKeyQBNJADAVQADTJC-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 111663126) has the molecular formula C14H19BrFNO3 and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID111663126
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C14H19BrFNO3/c1-9(13(18)17(4)8-14(2,3)19)20-12-6-5-10(16)7-11(12)15/h5-7,9,19H,8H2,1-4H3
InChIKeyQBNJADAVQADTJC-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide 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-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 119659098
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46453032
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994
2-[2-(2-bromo-4-fluorophenoxy)propanoyl-cyclopropylamino]propanoic acid
CID 119203508
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 111663126) is 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CC(Oc1ccc(F)cc1Br)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is QBNJADAVQADTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-9(13(18)17(4)8-14(2,3)19)20-12-6-5-10(16)7-11(12)15/h5-7,9,19H,8H2,1-4H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 348.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 111663126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).