N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide

C14H13BrClN3O — CID 75430292

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C14H13BrClN3O/c1-19(2)11-5-3-4-9(6-11)14(20)18-10-7-12(15)13(16)17-8-10/h3-8H,1-2H3,(H,18,20)
InChIKeySXFXDEHGWHLLIE-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.82
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide

N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide (PubChem CID 75430292) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
PubChem CID75430292
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1
InChIInChI=1S/C14H13BrClN3O/c1-19(2)11-5-3-4-9(6-11)14(20)18-10-7-12(15)13(16)17-8-10/h3-8H,1-2H3,(H,18,20)
InChIKeySXFXDEHGWHLLIE-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115377777
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide (CID 75430292) is N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide?
The InChIKey is SXFXDEHGWHLLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-19(2)11-5-3-4-9(6-11)14(20)18-10-7-12(15)13(16)17-8-10/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide has a molecular weight of 354.64 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 75430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).