3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide

C13H9BrCl2N2O2 — CID 107659948

IUPAC3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H9BrCl2N2O2/c14-7-4-9(16)11(5-8(7)15)20-12-6(13(18)19)2-1-3-10(12)17/h1-5H,17H2,(H2,18,19)
InChIKeyJDZHAJIIDWFUFT-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.23
Rot. Bonds3

About 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide

3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide (PubChem CID 107659948) has the molecular formula C13H9BrCl2N2O2 and a molecular weight of 376.04 g/mol. Its IUPAC name is 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
PubChem CID107659948
Molecular FormulaC13H9BrCl2N2O2
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC Name3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
SMILESNC(=O)c1cccc(N)c1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H9BrCl2N2O2/c14-7-4-9(16)11(5-8(7)15)20-12-6(13(18)19)2-1-3-10(12)17/h1-5H,17H2,(H2,18,19)
InChIKeyJDZHAJIIDWFUFT-UHFFFAOYSA-N
XLogP4.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
CID 112579736
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
3-amino-2-(2,4,5-trichlorophenoxy)benzoic acid
CID 115935660
3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116689745
3-amino-2-(5-bromo-2-chlorophenoxy)benzoic acid
CID 112579858
3-amino-2-(2-chloro-5-methylphenoxy)benzoic acid
CID 112579753
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
3-amino-4-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107659943
2-amino-5-(4-bromo-2,5-dichlorophenoxy)-4-fluorobenzoic acid
CID 107659952
4-bromo-2-(4-bromo-2,5-dichlorophenoxy)benzenecarbothioamide
CID 107658112
2-bromo-6-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107661502
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide?
The IUPAC name of 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide (CID 107659948) is 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide?
The canonical SMILES for 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide is NC(=O)c1cccc(N)c1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide?
The InChIKey is JDZHAJIIDWFUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2/c14-7-4-9(16)11(5-8(7)15)20-12-6(13(18)19)2-1-3-10(12)17/h1-5H,17H2,(H2,18,19).
What are the key properties of 3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide?
3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide has a molecular weight of 376.04 g/mol, XLogP of 4.23, 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-2,5-dichlorophenoxy)benzamide is sourced from PubChem (CID 107659948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).