1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one

C14H17BrFNO — CID 116559176

IUPAC1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one
SMILESO=C(CNC1CCCC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO/c15-11-5-6-14(16)10(7-11)8-13(18)9-17-12-3-1-2-4-12/h5-7,12,17H,1-4,8-9H2
InChIKeySBTYSWHXHOFSKJ-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.23
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one

1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one (PubChem CID 116559176) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one
PubChem CID116559176
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one
SMILESO=C(CNC1CCCC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO/c15-11-5-6-14(16)10(7-11)8-13(18)9-17-12-3-1-2-4-12/h5-7,12,17H,1-4,8-9H2
InChIKeySBTYSWHXHOFSKJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559142
1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139930
2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(5-bromo-2-fluorophenyl)methyl]-1-oxothian-4-amine
CID 54981395
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
CID 112743598

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one (CID 116559176) is 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one is O=C(CNC1CCCC1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
The InChIKey is SBTYSWHXHOFSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-11-5-6-14(16)10(7-11)8-13(18)9-17-12-3-1-2-4-12/h5-7,12,17H,1-4,8-9H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one has a molecular weight of 314.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one is sourced from PubChem (CID 116559176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).