5-amino-2-(3-bromo-4-fluorophenoxy)benzamide

C13H10BrFN2O2 — CID 83234649

IUPAC5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN2O2/c14-10-6-8(2-3-11(10)15)19-12-4-1-7(16)5-9(12)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyHNYSOOPRCUMCCC-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.06
Rot. Bonds3

About 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide

5-amino-2-(3-bromo-4-fluorophenoxy)benzamide (PubChem CID 83234649) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
PubChem CID83234649
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN2O2/c14-10-6-8(2-3-11(10)15)19-12-4-1-7(16)5-9(12)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyHNYSOOPRCUMCCC-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-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
CID 106264677
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
2-(3-bromo-4-fluorophenoxy)-4-chlorobenzenecarbothioamide
CID 83233048
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
CID 114195711
2-(3-bromo-4-fluorophenoxy)-5-nitrobenzoic acid
CID 83231977
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
5-bromo-2-(4-bromo-3-methylphenoxy)benzamide
CID 114892345

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide?
The IUPAC name of 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide (CID 83234649) is 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide.
What is the SMILES notation for 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide?
The canonical SMILES for 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide is NC(=O)c1cc(N)ccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide?
The InChIKey is HNYSOOPRCUMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-10-6-8(2-3-11(10)15)19-12-4-1-7(16)5-9(12)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide?
5-amino-2-(3-bromo-4-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 5-amino-2-(3-bromo-4-fluorophenoxy)benzamide is sourced from PubChem (CID 83234649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).