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

C13H10BrClN2O2 — CID 43448570

IUPAC3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C13H10BrClN2O2/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyCKYPJSQLDQCPAE-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.58
Rot. Bonds3

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

3-amino-4-(4-bromo-2-chlorophenoxy)benzamide (PubChem CID 43448570) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
PubChem CID43448570
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C13H10BrClN2O2/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,16H2,(H2,17,18)
InChIKeyCKYPJSQLDQCPAE-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'}

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Related Compounds

3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530
3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
CID 112579736
3-amino-4-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107659943
2-(4-bromo-2-chlorophenoxy)-5-nitroaniline
CID 62508136
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
methyl 3-amino-4-(2-chloro-4-methylphenoxy)benzoate
CID 62674146
5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 81440012
4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
CID 106748354

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide?
The IUPAC name of 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide (CID 43448570) is 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide.
What is the SMILES notation for 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide?
The canonical SMILES for 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide is NC(=O)c1ccc(Oc2ccc(Br)cc2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide?
The InChIKey is CKYPJSQLDQCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6H,16H2,(H2,17,18).
What are the key properties of 3-amino-4-(4-bromo-2-chlorophenoxy)benzamide?
3-amino-4-(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-4-(4-bromo-2-chlorophenoxy)benzamide is sourced from PubChem (CID 43448570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).