2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide

C12H9BrClN3O — CID 83167499

IUPAC2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1cnccc1Cl
InChIInChI=1S/C12H9BrClN3O/c13-7-1-2-8(10(15)5-7)12(18)17-11-6-16-4-3-9(11)14/h1-6H,15H2,(H,17,18)
InChIKeyJYZSBGZNKBPYEH-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide

2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide (PubChem CID 83167499) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
PubChem CID83167499
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1cnccc1Cl
InChIInChI=1S/C12H9BrClN3O/c13-7-1-2-8(10(15)5-7)12(18)17-11-6-16-4-3-9(11)14/h1-6H,15H2,(H,17,18)
InChIKeyJYZSBGZNKBPYEH-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-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
CID 112576138
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580540
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide (CID 83167499) is 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide is Nc1cc(Br)ccc1C(=O)Nc1cnccc1Cl.
What is the InChIKey of 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide?
The InChIKey is JYZSBGZNKBPYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-7-1-2-8(10(15)5-7)12(18)17-11-6-16-4-3-9(11)14/h1-6H,15H2,(H,17,18).
What are the key properties of 2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide?
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide 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-4-bromo-N-(4-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 83167499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).