2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one

C12H13BrFNO — CID 106647121

IUPAC2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one
SMILESCC(N)(C(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-12(15,7-5-6-7)11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6,15H2,1H3
InChIKeyKOOMEODPKMOSFB-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one

2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one (PubChem CID 106647121) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one
PubChem CID106647121
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one
SMILESCC(N)(C(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-12(15,7-5-6-7)11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6,15H2,1H3
InChIKeyKOOMEODPKMOSFB-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one
CID 116558403
2-(azepan-1-yl)-1-(3-bromo-2-fluorophenyl)-2-methylpropan-1-one
CID 106644857
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 106644859
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
1-(3-bromo-2-fluorophenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 106644862
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329
(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 106547486
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
3-amino-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-one
CID 106647287
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one?
The IUPAC name of 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one (CID 106647121) is 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one is CC(N)(C(=O)c1cccc(Br)c1F)C1CC1.
What is the InChIKey of 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one?
The InChIKey is KOOMEODPKMOSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-12(15,7-5-6-7)11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6,15H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one?
2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one has a molecular weight of 286.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 106647121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).