N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide

C11H13BrFNO — CID 115191354

IUPACN-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO/c1-8(15)14(2)6-5-9-7-10(12)3-4-11(9)13/h3-4,7H,5-6H2,1-2H3
InChIKeyKZFBYNJOANMOAK-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.61
Rot. Bonds3

About N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide

N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 115191354) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID115191354
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO/c1-8(15)14(2)6-5-9-7-10(12)3-4-11(9)13/h3-4,7H,5-6H2,1-2H3
InChIKeyKZFBYNJOANMOAK-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 115175246
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042482
2-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]acetaldehyde
CID 115223440
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135545
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide (CID 115191354) is N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide is CC(=O)N(C)CCc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is KZFBYNJOANMOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-8(15)14(2)6-5-9-7-10(12)3-4-11(9)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide?
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 274.13 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115191354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).