2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide

C19H22BrFN2O2 — CID 78873922

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C19H22BrFN2O2/c1-13(25-18-10-9-15(21)11-16(18)20)19(24)22-17(12-23(2)3)14-7-5-4-6-8-14/h4-11,13,17H,12H2,1-3H3,(H,22,24)
InChIKeyCITJTPZQXUDQLI-UHFFFAOYSA-N
MW409.30 g/mol
LogP3.77
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide (PubChem CID 78873922) has the molecular formula C19H22BrFN2O2 and a molecular weight of 409.30 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
PubChem CID78873922
Molecular FormulaC19H22BrFN2O2
Molecular Weight409.30 g/mol
Exact Mass408.08
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C19H22BrFN2O2/c1-13(25-18-10-9-15(21)11-16(18)20)19(24)22-17(12-23(2)3)14-7-5-4-6-8-14/h4-11,13,17H,12H2,1-3H3,(H,22,24)
InChIKeyCITJTPZQXUDQLI-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439670
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide (CID 78873922) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
The InChIKey is CITJTPZQXUDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O2/c1-13(25-18-10-9-15(21)11-16(18)20)19(24)22-17(12-23(2)3)14-7-5-4-6-8-14/h4-11,13,17H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide has a molecular weight of 409.30 g/mol, XLogP of 3.77, 7 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-(dimethylamino)-1-phenylethyl]propanamide is sourced from PubChem (CID 78873922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).