N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide

C15H14BrClN2O — CID 102979199

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-10-4-2-3-5-11(10)6-7-14(20)19-13-8-12(16)9-18-15(13)17/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyJDJUXSJJVSXFNW-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.38
Rot. Bonds4

About N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide

N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide (PubChem CID 102979199) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
PubChem CID102979199
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-10-4-2-3-5-11(10)6-7-14(20)19-13-8-12(16)9-18-15(13)17/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyJDJUXSJJVSXFNW-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide 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-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 103819476
N-(5-bromo-2-chloro-3-pyridinyl)hexanamide
CID 102979268
N-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
CID 115624553
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
CID 102979817
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide (CID 102979199) is N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide?
The InChIKey is JDJUXSJJVSXFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-4-2-3-5-11(10)6-7-14(20)19-13-8-12(16)9-18-15(13)17/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide?
N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide has a molecular weight of 353.65 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 102979199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).