2-(3-bromo-5-fluorophenoxy)benzamide

C13H9BrFNO2 — CID 81331712

IUPAC2-(3-bromo-5-fluorophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H9BrFNO2/c14-8-5-9(15)7-10(6-8)18-12-4-2-1-3-11(12)13(16)17/h1-7H,(H2,16,17)
InChIKeyMSHNNHSDJOHFGI-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)benzamide

2-(3-bromo-5-fluorophenoxy)benzamide (PubChem CID 81331712) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)benzamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)benzamide
PubChem CID81331712
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name2-(3-bromo-5-fluorophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H9BrFNO2/c14-8-5-9(15)7-10(6-8)18-12-4-2-1-3-11(12)13(16)17/h1-7H,(H2,16,17)
InChIKeyMSHNNHSDJOHFGI-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
2-(3-bromo-5-fluorophenoxy)-5-nitrobenzamide
CID 81314087
2-(3-bromophenoxy)-5-fluorobenzamide
CID 63673769
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
3-(3-bromo-5-fluorophenoxy)-2-nitrobenzoic acid
CID 115541075
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
2-(3-amino-5-methoxyphenoxy)benzamide
CID 80747937

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)benzamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)benzamide (CID 81331712) is 2-(3-bromo-5-fluorophenoxy)benzamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)benzamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)benzamide is NC(=O)c1ccccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)benzamide?
The InChIKey is MSHNNHSDJOHFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-8-5-9(15)7-10(6-8)18-12-4-2-1-3-11(12)13(16)17/h1-7H,(H2,16,17).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)benzamide?
2-(3-bromo-5-fluorophenoxy)benzamide has a molecular weight of 310.12 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)benzamide is sourced from PubChem (CID 81331712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).