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

C12H8Br2ClN3O — CID 107937536

IUPACN-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
SMILESNc1cnc(NC(=O)c2cc(Cl)cc(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2ClN3O/c13-7-1-6(2-8(15)3-7)12(19)18-11-10(14)4-9(16)5-17-11/h1-5H,16H2,(H,17,18,19)
InChIKeyQKCNXJFVDFSAAK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.09
Rot. Bonds2

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

N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide (PubChem CID 107937536) has the molecular formula C12H8Br2ClN3O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
PubChem CID107937536
Molecular FormulaC12H8Br2ClN3O
Molecular Weight405.48 g/mol
Exact Mass402.87
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
SMILESNc1cnc(NC(=O)c2cc(Cl)cc(Br)c2)c(Br)c1
InChIInChI=1S/C12H8Br2ClN3O/c13-7-1-6(2-8(15)3-7)12(19)18-11-10(14)4-9(16)5-17-11/h1-5H,16H2,(H,17,18,19)
InChIKeyQKCNXJFVDFSAAK-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
CID 114019051
3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160095
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523
N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669265
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267
N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107013249

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide (CID 107937536) is N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide is Nc1cnc(NC(=O)c2cc(Cl)cc(Br)c2)c(Br)c1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide?
The InChIKey is QKCNXJFVDFSAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClN3O/c13-7-1-6(2-8(15)3-7)12(19)18-11-10(14)4-9(16)5-17-11/h1-5H,16H2,(H,17,18,19).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide?
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide has a molecular weight of 405.48 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 107937536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).