2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide

C14H20BrFN2O — CID 103776829

IUPAC2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-9(11-6-5-10(16)7-12(11)15)17-8-13(19)18-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyYSUYWFDMPJVKSL-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.15
Rot. Bonds4

About 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide

2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide (PubChem CID 103776829) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
PubChem CID103776829
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-9(11-6-5-10(16)7-12(11)15)17-8-13(19)18-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)
InChIKeyYSUYWFDMPJVKSL-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[1-(2-bromo-4-fluorophenyl)ethylamino]acetate
CID 103917117
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103787855
2-[(2-bromo-4-fluorophenyl)methylamino]-N-tert-butylacetamide
CID 81422388
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 114068412
4-[1-(2-bromo-4-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787544
N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
CID 115356029
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-[1-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902045
5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898959
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide (CID 103776829) is 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide is CC(NCC(=O)NC(C)(C)C)c1ccc(F)cc1Br.
What is the InChIKey of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide?
The InChIKey is YSUYWFDMPJVKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-9(11-6-5-10(16)7-12(11)15)17-8-13(19)18-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide?
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide has a molecular weight of 331.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide is sourced from PubChem (CID 103776829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).