2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide

C16H15BrFNO2 — CID 112786458

IUPAC2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H15BrFNO2/c1-11(21-15-9-8-12(18)10-14(15)17)16(20)19(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyIWYNCYOMAPXZDT-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.02
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide

2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide (PubChem CID 112786458) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
PubChem CID112786458
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H15BrFNO2/c1-11(21-15-9-8-12(18)10-14(15)17)16(20)19(2)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyIWYNCYOMAPXZDT-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525751
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663126
(2S)-2-(2,4-dimethylphenoxy)-N-methyl-N-phenylpropanamide
CID 95990665
2-[2-(2-bromo-4-fluorophenoxy)propanoyl-cyclopropylamino]propanoic acid
CID 119203508
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 119659098
(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 7568794
2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 78873922
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide (CID 112786458) is 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide is CC(Oc1ccc(F)cc1Br)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide?
The InChIKey is IWYNCYOMAPXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-11(21-15-9-8-12(18)10-14(15)17)16(20)19(2)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide?
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide has a molecular weight of 352.20 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 112786458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).