3-amino-2-(4-bromo-2-chlorophenoxy)benzamide

C13H10BrClN2O2 — CID 112579736

IUPAC3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClN2O2/c14-7-4-5-11(9(15)6-7)19-12-8(13(17)18)2-1-3-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyUQZXYDKBRSBINT-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.58
Rot. Bonds3

About 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide

3-amino-2-(4-bromo-2-chlorophenoxy)benzamide (PubChem CID 112579736) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
PubChem CID112579736
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClN2O2/c14-7-4-5-11(9(15)6-7)19-12-8(13(17)18)2-1-3-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyUQZXYDKBRSBINT-UHFFFAOYSA-N
XLogP3.58
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-(4-bromo-2-chlorophenoxy)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-(5-bromo-2-chlorophenoxy)benzoic acid
CID 112579858
3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116689745
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
3-amino-2-(2,4,5-trichlorophenoxy)benzoic acid
CID 115935660
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
3-amino-2-(2-chloro-5-methylphenoxy)benzoic acid
CID 112579753
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
3-(4-bromo-2-chlorophenoxy)-2-nitrobenzoic acid
CID 115541000

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide?
The IUPAC name of 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide (CID 112579736) is 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide?
The canonical SMILES for 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide is NC(=O)c1cccc(N)c1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide?
The InChIKey is UQZXYDKBRSBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-7-4-5-11(9(15)6-7)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-(4-bromo-2-chlorophenoxy)benzamide?
3-amino-2-(4-bromo-2-chlorophenoxy)benzamide has a molecular weight of 341.59 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromo-2-chlorophenoxy)benzamide is sourced from PubChem (CID 112579736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).