1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone

C17H17BrFNO — CID 62978155

IUPAC1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
SMILESCC(c1ccccc1F)N(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H17BrFNO/c1-12(15-8-3-4-9-16(15)19)20(2)11-17(21)13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3
InChIKeyGWQBHKTVRHFVNK-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.46
Rot. Bonds5

About 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone

1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone (PubChem CID 62978155) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
PubChem CID62978155
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone
SMILESCC(c1ccccc1F)N(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H17BrFNO/c1-12(15-8-3-4-9-16(15)19)20(2)11-17(21)13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3
InChIKeyGWQBHKTVRHFVNK-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999791
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone
CID 82956139
N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
CID 87009194
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone (CID 62978155) is 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone is CC(c1ccccc1F)N(C)CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone?
The InChIKey is GWQBHKTVRHFVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-12(15-8-3-4-9-16(15)19)20(2)11-17(21)13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone?
1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone has a molecular weight of 350.23 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[1-(2-fluorophenyl)ethyl-methylamino]ethanone is sourced from PubChem (CID 62978155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).