3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide

C13H11BrClN3O — CID 79733686

IUPAC3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(N)c2)ncc1Br
InChIInChI=1S/C13H11BrClN3O/c1-7-4-12(17-6-9(7)14)18-13(19)8-2-3-10(15)11(16)5-8/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyRGFOIBBXLYXWRA-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.64
Rot. Bonds2

About 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide (PubChem CID 79733686) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
PubChem CID79733686
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(N)c2)ncc1Br
InChIInChI=1S/C13H11BrClN3O/c1-7-4-12(17-6-9(7)14)18-13(19)8-2-3-10(15)11(16)5-8/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyRGFOIBBXLYXWRA-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.64
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

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide?
The IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide (CID 79733686) is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide is Cc1cc(NC(=O)c2ccc(Cl)c(N)c2)ncc1Br.
What is the InChIKey of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide?
The InChIKey is RGFOIBBXLYXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-7-4-12(17-6-9(7)14)18-13(19)8-2-3-10(15)11(16)5-8/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide?
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide has a molecular weight of 340.61 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide is sourced from PubChem (CID 79733686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).