3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one

C16H15BrFNO — CID 116599000

IUPAC3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)c1cc(Br)ccc1F)C(N)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-10(15(19)11-5-3-2-4-6-11)16(20)13-9-12(17)7-8-14(13)18/h2-10,15H,19H2,1H3
InChIKeyYHFJMLCTQKIUKP-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.11
Rot. Bonds4

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

3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one (PubChem CID 116599000) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
PubChem CID116599000
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)c1cc(Br)ccc1F)C(N)c1ccccc1
InChIInChI=1S/C16H15BrFNO/c1-10(15(19)11-5-3-2-4-6-11)16(20)13-9-12(17)7-8-14(13)18/h2-10,15H,19H2,1H3
InChIKeyYHFJMLCTQKIUKP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116598880
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745605
3-amino-1-(5-bromo-2-fluorophenyl)-4-methylpentan-1-one
CID 116606355
(1-oxo-1-phenylpropan-2-yl) 5-bromo-2-fluorobenzoate
CID 55338939
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
CID 116598935
3-amino-1-(3-chlorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599007
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640
3-amino-1-(3-bromofuran-2-yl)-2-methyl-3-phenylpropan-1-one
CID 116598966
4-amino-1-(2-bromo-3-fluorophenyl)-3-methyl-4-phenylbutan-2-one
CID 116599027

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one (CID 116599000) is 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one is CC(C(=O)c1cc(Br)ccc1F)C(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is YHFJMLCTQKIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10(15(19)11-5-3-2-4-6-11)16(20)13-9-12(17)7-8-14(13)18/h2-10,15H,19H2,1H3.
What are the key properties of 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 336.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 116599000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).