2-(4-bromo-2-fluorophenyl)-N-methylacetamide

C9H9BrFNO — CID 71270704

IUPAC2-(4-bromo-2-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO/c1-12-9(13)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyHYJUYPDIBLNHJI-UHFFFAOYSA-N
MW246.08 g/mol
LogP1.88
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-N-methylacetamide

2-(4-bromo-2-fluorophenyl)-N-methylacetamide (PubChem CID 71270704) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-methylacetamide
PubChem CID71270704
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO/c1-12-9(13)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyHYJUYPDIBLNHJI-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(4-bromo-2-fluorophenyl)-4-(methylamino)butan-2-one
CID 116561217
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 124707474
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
3-amino-1-(4-bromo-2-fluorophenyl)butan-2-one
CID 116551805
2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
CID 61219784
3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methylacetamide (CID 71270704) is 2-(4-bromo-2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-methylacetamide is CNC(=O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-methylacetamide?
The InChIKey is HYJUYPDIBLNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-12-9(13)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-methylacetamide?
2-(4-bromo-2-fluorophenyl)-N-methylacetamide has a molecular weight of 246.08 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 71270704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).