1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone

C16H15BrFNO — CID 61068200

IUPAC1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-11(20)16-14(18)7-4-8-15(16)19(2)10-12-5-3-6-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyFRCDKUPHWQULJF-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.43
Rot. Bonds4

About 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone

1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone (PubChem CID 61068200) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
PubChem CID61068200
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-11(20)16-14(18)7-4-8-15(16)19(2)10-12-5-3-6-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyFRCDKUPHWQULJF-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 60678107
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401
4-[(3-bromophenyl)methyl-methylamino]-3,5-difluorobenzoic acid
CID 63538826
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
CID 43396772
N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
CID 82797938
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone (CID 61068200) is 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1N(C)Cc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone?
The InChIKey is FRCDKUPHWQULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11(20)16-14(18)7-4-8-15(16)19(2)10-12-5-3-6-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone?
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone has a molecular weight of 336.20 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 61068200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).