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

C11H14BrFN2O — CID 115733479

IUPAC2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(15-6-11(16)14-2)8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyLHEFGKUATJUOCC-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.98
Rot. Bonds4

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

2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide (PubChem CID 115733479) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide
PubChem CID115733479
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(15-6-11(16)14-2)8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyLHEFGKUATJUOCC-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891030
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide (CID 115733479) is 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide is CNC(=O)CNC(C)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide?
The InChIKey is LHEFGKUATJUOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(15-6-11(16)14-2)8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide?
2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide has a molecular weight of 289.15 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 115733479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).