2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one

C9H9BrFNO — CID 84705510

IUPAC2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-5(12)9(13)7-3-2-6(11)4-8(7)10/h2-5H,12H2,1H3
InChIKeyNULTVJUGGPJSNX-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one

2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one (PubChem CID 84705510) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
PubChem CID84705510
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-5(12)9(13)7-3-2-6(11)4-8(7)10/h2-5H,12H2,1H3
InChIKeyNULTVJUGGPJSNX-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
2-bromo-4-fluorobenzohydrazide
CID 16780865
2-amino-1-(4-bromo-2-fluoro-5-methylphenyl)propan-1-one
CID 84806363
2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one
CID 84806362
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-amino-1-(2-bromo-5-hydroxyphenyl)propan-1-one
CID 84704257
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837373
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one (CID 84705510) is 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one is CC(N)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one?
The InChIKey is NULTVJUGGPJSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-5(12)9(13)7-3-2-6(11)4-8(7)10/h2-5H,12H2,1H3.
What are the key properties of 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one?
2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one has a molecular weight of 246.08 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one is sourced from PubChem (CID 84705510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).