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

C13H10BrFN2O2 — CID 113333380

IUPAC2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
SMILESNC(=O)c1cccc(Oc2cc(F)cc(Br)c2)c1N
InChIInChI=1S/C13H10BrFN2O2/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(12(11)16)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyIJLBJFFOSHKAOS-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.06
Rot. Bonds3

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

2-amino-3-(3-bromo-5-fluorophenoxy)benzamide (PubChem CID 113333380) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
PubChem CID113333380
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
SMILESNC(=O)c1cccc(Oc2cc(F)cc(Br)c2)c1N
InChIInChI=1S/C13H10BrFN2O2/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(12(11)16)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyIJLBJFFOSHKAOS-UHFFFAOYSA-N
XLogP3.06
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
3-(3-bromo-5-fluorophenoxy)-2-nitrobenzoic acid
CID 115541075
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-(3-bromophenoxy)-5-fluorobenzamide
CID 63673769
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
2-(3-bromo-5-fluorophenoxy)-5-nitrobenzamide
CID 81314087
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
2-(3-bromo-5-fluorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81331722

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide?
The IUPAC name of 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide (CID 113333380) is 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide.
What is the SMILES notation for 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide?
The canonical SMILES for 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide is NC(=O)c1cccc(Oc2cc(F)cc(Br)c2)c1N.
What is the InChIKey of 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide?
The InChIKey is IJLBJFFOSHKAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(12(11)16)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide?
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide has a molecular weight of 325.14 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromo-5-fluorophenoxy)benzamide is sourced from PubChem (CID 113333380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).