3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one

C10H11BrFNO2 — CID 117441624

IUPAC3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c(F)c1Br
InChIInChI=1S/C10H11BrFNO2/c1-15-8-3-2-6(7(14)4-5-13)10(12)9(8)11/h2-3H,4-5,13H2,1H3
InChIKeyUMFZSPHXFJSRMZ-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one

3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 117441624) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID117441624
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)c(F)c1Br
InChIInChI=1S/C10H11BrFNO2/c1-15-8-3-2-6(7(14)4-5-13)10(12)9(8)11/h2-3H,4-5,13H2,1H3
InChIKeyUMFZSPHXFJSRMZ-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
CID 117329949
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
6-amino-1-(3-bromo-2,4-dimethoxyphenyl)-4-methylhexan-1-one
CID 103524296
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one (CID 117441624) is 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCN)c(F)c1Br.
What is the InChIKey of 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is UMFZSPHXFJSRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-15-8-3-2-6(7(14)4-5-13)10(12)9(8)11/h2-3H,4-5,13H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one?
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 276.10 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117441624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).