3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one

C16H15BrFNO — CID 116563898

IUPAC3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
SMILESCC(N)(C(=O)Cc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-16(19,12-5-3-2-4-6-12)15(20)10-11-9-13(18)7-8-14(11)17/h2-9H,10,19H2,1H3
InChIKeyUPJYHTYPIZICRX-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one

3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one (PubChem CID 116563898) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
PubChem CID116563898
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
SMILESCC(N)(C(=O)Cc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-16(19,12-5-3-2-4-6-12)15(20)10-11-9-13(18)7-8-14(11)17/h2-9H,10,19H2,1H3
InChIKeyUPJYHTYPIZICRX-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-chloro-5-fluorophenyl)-3-phenylbutan-2-one
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1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
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1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
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3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
CID 107311328
1-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
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1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
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2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
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2-amino-2-phenylhexan-3-one
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N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide
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1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one?
The IUPAC name of 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one (CID 116563898) is 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one.
What is the SMILES notation for 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one?
The canonical SMILES for 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one is CC(N)(C(=O)Cc1cc(F)ccc1Br)c1ccccc1.
What is the InChIKey of 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one?
The InChIKey is UPJYHTYPIZICRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-16(19,12-5-3-2-4-6-12)15(20)10-11-9-13(18)7-8-14(11)17/h2-9H,10,19H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one?
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one has a molecular weight of 336.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one is sourced from PubChem (CID 116563898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).