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

C14H17BrFNO — CID 116559142

IUPAC1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
SMILESO=C(CNC1CCCC1)Cc1cccc(F)c1Br
InChIInChI=1S/C14H17BrFNO/c15-14-10(4-3-7-13(14)16)8-12(18)9-17-11-5-1-2-6-11/h3-4,7,11,17H,1-2,5-6,8-9H2
InChIKeyHOVDKRDEKDEKFU-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.23
Rot. Bonds5

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

1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one (PubChem CID 116559142) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
PubChem CID116559142
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
SMILESO=C(CNC1CCCC1)Cc1cccc(F)c1Br
InChIInChI=1S/C14H17BrFNO/c15-14-10(4-3-7-13(14)16)8-12(18)9-17-11-5-1-2-6-11/h3-4,7,11,17H,1-2,5-6,8-9H2
InChIKeyHOVDKRDEKDEKFU-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-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559176
1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
CID 116562639
1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one
CID 116558986
1-(2-bromo-3-fluorophenyl)-3-(cyclohexen-1-yl)propan-2-one
CID 116659615
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282
5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one
CID 116553362
1-(2-bromo-3-fluorophenyl)pent-4-en-2-one
CID 116659410
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one (CID 116559142) is 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one is O=C(CNC1CCCC1)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
The InChIKey is HOVDKRDEKDEKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-14-10(4-3-7-13(14)16)8-12(18)9-17-11-5-1-2-6-11/h3-4,7,11,17H,1-2,5-6,8-9H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one?
1-(2-bromo-3-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-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one is sourced from PubChem (CID 116559142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).