1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone

C17H17BrFNO — CID 82956139

IUPAC1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H17BrFNO/c1-11(14-6-4-5-7-16(14)19)20(3)17-10-13(18)8-9-15(17)12(2)21/h4-11H,1-3H3
InChIKeyKWGVKILLJRSBML-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.99
Rot. Bonds4

About 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone

1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone (PubChem CID 82956139) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone
PubChem CID82956139
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H17BrFNO/c1-11(14-6-4-5-7-16(14)19)20(3)17-10-13(18)8-9-15(17)12(2)21/h4-11H,1-3H3
InChIKeyKWGVKILLJRSBML-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzoic acid
CID 62984177
1-[4-bromo-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
CID 112660451
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
CID 82966870
1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
CID 62978155
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone
CID 82967655
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone (CID 82956139) is 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone is CC(=O)c1ccc(Br)cc1N(C)C(C)c1ccccc1F.
What is the InChIKey of 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone?
The InChIKey is KWGVKILLJRSBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11(14-6-4-5-7-16(14)19)20(3)17-10-13(18)8-9-15(17)12(2)21/h4-11H,1-3H3.
What are the key properties of 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone?
1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone has a molecular weight of 350.23 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 82956139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).