2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide

C12H16BrFN2O — CID 54950521

IUPAC2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-7(16-8(2)12(17)15-3)9-4-5-11(14)10(13)6-9/h4-8,16H,1-3H3,(H,15,17)
InChIKeyRUGWIFLDICKPER-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.37
Rot. Bonds4

About 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide

2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide (PubChem CID 54950521) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
PubChem CID54950521
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-7(16-8(2)12(17)15-3)9-4-5-11(14)10(13)6-9/h4-8,16H,1-3H3,(H,15,17)
InChIKeyRUGWIFLDICKPER-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
CID 81327934
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43767555
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
N-[(1S)-1-(3-bromo-4-fluorophenyl)ethyl]prop-2-enamide
CID 166408346
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
methyl 4-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoate
CID 43774296

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide (CID 54950521) is 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide is CNC(=O)C(C)NC(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is RUGWIFLDICKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-7(16-8(2)12(17)15-3)9-4-5-11(14)10(13)6-9/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide?
2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 303.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 54950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).