2-(3-bromophenoxy)-5-fluorobenzamide

C13H9BrFNO2 — CID 63673769

IUPAC2-(3-bromophenoxy)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H9BrFNO2/c14-8-2-1-3-10(6-8)18-12-5-4-9(15)7-11(12)13(16)17/h1-7H,(H2,16,17)
InChIKeyVRDXBTLUPPPGJK-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-bromophenoxy)-5-fluorobenzamide

2-(3-bromophenoxy)-5-fluorobenzamide (PubChem CID 63673769) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-5-fluorobenzamide
PubChem CID63673769
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name2-(3-bromophenoxy)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H9BrFNO2/c14-8-2-1-3-10(6-8)18-12-5-4-9(15)7-11(12)13(16)17/h1-7H,(H2,16,17)
InChIKeyVRDXBTLUPPPGJK-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-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
5-fluoro-2-(3-phenylphenoxy)benzamide
CID 171776935
5-bromo-2-(3-fluorophenoxy)benzenecarbothioamide
CID 114892209
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide
CID 175582610
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113
5-bromo-2-(2-hydroxyphenoxy)benzamide
CID 114895131
5-bromo-2-(4-bromo-3-methylphenoxy)benzamide
CID 114892345
2-(3-bromo-5-fluorophenoxy)-5-nitrobenzamide
CID 81314087
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-5-fluorobenzamide?
The IUPAC name of 2-(3-bromophenoxy)-5-fluorobenzamide (CID 63673769) is 2-(3-bromophenoxy)-5-fluorobenzamide.
What is the SMILES notation for 2-(3-bromophenoxy)-5-fluorobenzamide?
The canonical SMILES for 2-(3-bromophenoxy)-5-fluorobenzamide is NC(=O)c1cc(F)ccc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-5-fluorobenzamide?
The InChIKey is VRDXBTLUPPPGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-8-2-1-3-10(6-8)18-12-5-4-9(15)7-11(12)13(16)17/h1-7H,(H2,16,17).
What are the key properties of 2-(3-bromophenoxy)-5-fluorobenzamide?
2-(3-bromophenoxy)-5-fluorobenzamide 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-bromophenoxy)-5-fluorobenzamide is sourced from PubChem (CID 63673769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).