N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide

C12H9BrClN3O — CID 103806405

IUPACN-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C12H9BrClN3O/c13-10-5-7(14)1-3-9(10)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H2,15,16)(H,17,18)
InChIKeyABBIIHDHFOWYKC-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.33
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide

N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide (PubChem CID 103806405) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
PubChem CID103806405
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C12H9BrClN3O/c13-10-5-7(14)1-3-9(10)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H2,15,16)(H,17,18)
InChIKeyABBIIHDHFOWYKC-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

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Related Compounds

N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
CID 113265570
2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 103763941
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide (CID 103806405) is N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide is Nc1ccc(NC(=O)c2ccc(Cl)cc2Br)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide?
The InChIKey is ABBIIHDHFOWYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-10-5-7(14)1-3-9(10)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide?
N-(6-amino-3-pyridinyl)-2-bromo-4-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 N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 103806405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).