2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide

C12H9BrClN3O — CID 115540802

IUPAC2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ncccc1Br
InChIInChI=1S/C12H9BrClN3O/c13-8-4-2-6-16-11(8)17-12(18)7-3-1-5-9(14)10(7)15/h1-6H,15H2,(H,16,17,18)
InChIKeyHBTOSNNIWQCUBN-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide

2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide (PubChem CID 115540802) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
PubChem CID115540802
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ncccc1Br
InChIInChI=1S/C12H9BrClN3O/c13-8-4-2-6-16-11(8)17-12(18)7-3-1-5-9(14)10(7)15/h1-6H,15H2,(H,16,17,18)
InChIKeyHBTOSNNIWQCUBN-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.33
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

2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
CID 103093876
4-amino-N-(3-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 81245467
N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685084
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
CID 82547270
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
CID 79214209
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide (CID 115540802) is 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide is Nc1c(Cl)cccc1C(=O)Nc1ncccc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide?
The InChIKey is HBTOSNNIWQCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-8-4-2-6-16-11(8)17-12(18)7-3-1-5-9(14)10(7)15/h1-6H,15H2,(H,16,17,18).
What are the key properties of 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide?
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide has a molecular weight of 326.58 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide is sourced from PubChem (CID 115540802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).