(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C16H15BrFNO — CID 116613281

IUPAC(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H15BrFNO/c1-19-9-8-11-4-2-3-5-13(11)16(20)14-10-12(17)6-7-15(14)18/h2-7,10,19H,8-9H2,1H3
InChIKeyWCZXJEIYGHTHGO-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.58
Rot. Bonds5

About (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 116613281) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID116613281
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H15BrFNO/c1-19-9-8-11-4-2-3-5-13(11)16(20)14-10-12(17)6-7-15(14)18/h2-7,10,19H,8-9H2,1H3
InChIKeyWCZXJEIYGHTHGO-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
2-[2-(methylamino)ethyl]benzamide
CID 69094527
(2,4-dimethylphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613156
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
CID 84604720
5-bromo-N-[2-(2-fluorophenyl)ethyl]-2-iodobenzamide
CID 35613683
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548150
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613356

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 116613281) is (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CNCCc1ccccc1C(=O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is WCZXJEIYGHTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-19-9-8-11-4-2-3-5-13(11)16(20)14-10-12(17)6-7-15(14)18/h2-7,10,19H,8-9H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 336.20 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 116613281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).