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

C13H10BrFN2O2 — CID 112579924

IUPAC3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1cc(F)ccc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-9-5-4-7(15)6-11(9)19-12-8(13(17)18)2-1-3-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyWKGFUUBIIIZHMN-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.06
Rot. Bonds3

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

3-amino-2-(2-bromo-5-fluorophenoxy)benzamide (PubChem CID 112579924) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
PubChem CID112579924
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1cc(F)ccc1Br
InChIInChI=1S/C13H10BrFN2O2/c14-9-5-4-7(15)6-11(9)19-12-8(13(17)18)2-1-3-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyWKGFUUBIIIZHMN-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'}

Analyze 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
CID 107659948
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116689745
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102982925
3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
CID 112579736
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
ethyl 3-amino-2-(2-bromophenoxy)benzoate
CID 115935679
ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
bis(2-amino-6-carbamoylphenyl) 2,3-dihydroxybutanedioate
CID 174596966
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
CID 115935849
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide?
The IUPAC name of 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide (CID 112579924) is 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide?
The canonical SMILES for 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide is NC(=O)c1cccc(N)c1Oc1cc(F)ccc1Br.
What is the InChIKey of 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide?
The InChIKey is WKGFUUBIIIZHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-5-4-7(15)6-11(9)19-12-8(13(17)18)2-1-3-10(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide?
3-amino-2-(2-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 3-amino-2-(2-bromo-5-fluorophenoxy)benzamide is sourced from PubChem (CID 112579924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).