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

C13H11BrClN3O — CID 113332933

IUPAC2-amino-3-(5-bromo-2-chloroanilino)benzamide
SMILESNC(=O)c1cccc(Nc2cc(Br)ccc2Cl)c1N
InChIInChI=1S/C13H11BrClN3O/c14-7-4-5-9(15)11(6-7)18-10-3-1-2-8(12(10)16)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyARTGQGAPHULEJD-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.53
Rot. Bonds3

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

2-amino-3-(5-bromo-2-chloroanilino)benzamide (PubChem CID 113332933) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2-chloroanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2-chloroanilino)benzamide
PubChem CID113332933
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name2-amino-3-(5-bromo-2-chloroanilino)benzamide
SMILESNC(=O)c1cccc(Nc2cc(Br)ccc2Cl)c1N
InChIInChI=1S/C13H11BrClN3O/c14-7-4-5-9(15)11(6-7)18-10-3-1-2-8(12(10)16)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyARTGQGAPHULEJD-UHFFFAOYSA-N
XLogP3.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-(2,5-dibromoanilino)benzoic acid
CID 113332723
2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
2-amino-3-(5-bromo-2-fluoroanilino)benzoic acid
CID 113332604
methyl 2-amino-3-(2,5-dibromoanilino)benzoate
CID 115545220
5-amino-2-(5-bromo-2-chloroanilino)benzoic acid
CID 55130714
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-(2-methylanilino)benzamide
CID 113332516
methyl 2-amino-3-(2-chloro-5-fluoroanilino)benzoate
CID 107531013
2-amino-3-(2-ethylanilino)benzamide
CID 113332482

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2-chloroanilino)benzamide?
The IUPAC name of 2-amino-3-(5-bromo-2-chloroanilino)benzamide (CID 113332933) is 2-amino-3-(5-bromo-2-chloroanilino)benzamide.
What is the SMILES notation for 2-amino-3-(5-bromo-2-chloroanilino)benzamide?
The canonical SMILES for 2-amino-3-(5-bromo-2-chloroanilino)benzamide is NC(=O)c1cccc(Nc2cc(Br)ccc2Cl)c1N.
What is the InChIKey of 2-amino-3-(5-bromo-2-chloroanilino)benzamide?
The InChIKey is ARTGQGAPHULEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-7-4-5-9(15)11(6-7)18-10-3-1-2-8(12(10)16)13(17)19/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 2-amino-3-(5-bromo-2-chloroanilino)benzamide?
2-amino-3-(5-bromo-2-chloroanilino)benzamide has a molecular weight of 340.61 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2-chloroanilino)benzamide is sourced from PubChem (CID 113332933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).