2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone

C10H11BrFNO — CID 117403867

IUPAC2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
SMILESCCc1cc(Br)c(F)c(C(=O)CN)c1
InChIInChI=1S/C10H11BrFNO/c1-2-6-3-7(9(14)5-13)10(12)8(11)4-6/h3-4H,2,5,13H2,1H3
InChIKeyOLNKSZBCCFRUPS-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone

2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone (PubChem CID 117403867) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
PubChem CID117403867
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
SMILESCCc1cc(Br)c(F)c(C(=O)CN)c1
InChIInChI=1S/C10H11BrFNO/c1-2-6-3-7(9(14)5-13)10(12)8(11)4-6/h3-4H,2,5,13H2,1H3
InChIKeyOLNKSZBCCFRUPS-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134715481
3-amino-1-(3-bromo-2,5-difluorophenyl)propan-1-one
CID 117414290
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
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4-(3-bromo-5-ethyl-2-fluorophenyl)butan-1-amine
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3-amino-1-(5-bromo-2,3,4-trifluorophenyl)propan-1-one
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2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone (CID 117403867) is 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone is CCc1cc(Br)c(F)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone?
The InChIKey is OLNKSZBCCFRUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-2-6-3-7(9(14)5-13)10(12)8(11)4-6/h3-4H,2,5,13H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone?
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone has a molecular weight of 260.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone is sourced from PubChem (CID 117403867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).