7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one

C15H21BrFNO — CID 116574337

IUPAC7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one
SMILESCC(N)CCCC(C)C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFNO/c1-10(4-3-5-11(2)18)15(19)8-12-6-7-13(16)9-14(12)17/h6-7,9-11H,3-5,8,18H2,1-2H3
InChIKeySLZXSLFMCLMVSO-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.85
Rot. Bonds7

About 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one

7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one (PubChem CID 116574337) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one.

Molecular Properties

Compound Name7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one
PubChem CID116574337
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one
SMILESCC(N)CCCC(C)C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFNO/c1-10(4-3-5-11(2)18)15(19)8-12-6-7-13(16)9-14(12)17/h6-7,9-11H,3-5,8,18H2,1-2H3
InChIKeySLZXSLFMCLMVSO-UHFFFAOYSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-2-fluorophenyl)butan-2-one
CID 116551805
5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
CID 116594975
1-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 43438813
4-[(4-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66233280
6-amino-1-(2-bromo-5-fluorophenyl)-3-methylhexan-2-one
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3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
6-amino-1-(3,4-difluorophenyl)-2-methylheptan-1-one
CID 116574127
2-(3-aminobutyl)-5-bromophenol
CID 130001244
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one?
The IUPAC name of 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one (CID 116574337) is 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one.
What is the SMILES notation for 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one?
The canonical SMILES for 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one is CC(N)CCCC(C)C(=O)Cc1ccc(Br)cc1F.
What is the InChIKey of 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one?
The InChIKey is SLZXSLFMCLMVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-10(4-3-5-11(2)18)15(19)8-12-6-7-13(16)9-14(12)17/h6-7,9-11H,3-5,8,18H2,1-2H3.
What are the key properties of 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one?
7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one has a molecular weight of 330.24 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one is sourced from PubChem (CID 116574337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).