2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one

C15H12BrClFNO — CID 106763962

IUPAC2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)c1ccc(Br)c(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H12BrClFNO/c1-15(19,9-5-3-2-4-6-9)14(20)10-7-8-11(16)12(17)13(10)18/h2-8H,19H2,1H3
InChIKeyVGZQPKQJUZFGCE-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.30
Rot. Bonds3

About 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one

2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one (PubChem CID 106763962) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one
PubChem CID106763962
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)c1ccc(Br)c(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H12BrClFNO/c1-15(19,9-5-3-2-4-6-9)14(20)10-7-8-11(16)12(17)13(10)18/h2-8H,19H2,1H3
InChIKeyVGZQPKQJUZFGCE-UHFFFAOYSA-N
XLogP4.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 106764103
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106761832
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
CID 116563898
(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 106764298
1-(4-bromo-3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 106761854
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 105398381
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)butan-1-one
CID 106763995
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one
CID 106763933
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one (CID 106763962) is 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one is CC(N)(C(=O)c1ccc(Br)c(Cl)c1F)c1ccccc1.
What is the InChIKey of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one?
The InChIKey is VGZQPKQJUZFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-15(19,9-5-3-2-4-6-9)14(20)10-7-8-11(16)12(17)13(10)18/h2-8H,19H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one?
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one has a molecular weight of 356.62 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one is sourced from PubChem (CID 106763962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).