N-(5-bromo-2-fluorophenyl)-N-methylacetamide

C9H9BrFNO — CID 115191064

IUPACN-(5-bromo-2-fluorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFNO/c1-6(13)12(2)9-5-7(10)3-4-8(9)11/h3-5H,1-2H3
InChIKeyUWOYIBXXGQTMRI-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.57
Rot. Bonds1

About N-(5-bromo-2-fluorophenyl)-N-methylacetamide

N-(5-bromo-2-fluorophenyl)-N-methylacetamide (PubChem CID 115191064) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-N-methylacetamide
PubChem CID115191064
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC NameN-(5-bromo-2-fluorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFNO/c1-6(13)12(2)9-5-7(10)3-4-8(9)11/h3-5H,1-2H3
InChIKeyUWOYIBXXGQTMRI-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-ethyl-2-fluorophenyl)-N-methylacetamide
CID 150244406
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940
N-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187249
4-(5-bromo-2-fluoro-N-methylanilino)-3-methyl-4-oxobutanoic acid
CID 115164539
N-(5-bromo-2-fluorophenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188821
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182970
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354
1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242863
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylaniline
CID 115214767
N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
CID 115175535

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-N-methylacetamide (CID 115191064) is N-(5-bromo-2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-N-methylacetamide is CC(=O)N(C)c1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-N-methylacetamide?
The InChIKey is UWOYIBXXGQTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-6(13)12(2)9-5-7(10)3-4-8(9)11/h3-5H,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-N-methylacetamide?
N-(5-bromo-2-fluorophenyl)-N-methylacetamide has a molecular weight of 246.08 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 115191064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).