N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide

C15H14BrClN2O — CID 103816430

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cnc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrClN2O/c1-15(2,10-6-4-3-5-7-10)14(20)19-11-8-12(16)13(17)18-9-11/h3-9H,1-2H3,(H,19,20)
InChIKeyFBHJBFAUKMNBSL-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.41
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide (PubChem CID 103816430) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide
PubChem CID103816430
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cnc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrClN2O/c1-15(2,10-6-4-3-5-7-10)14(20)19-11-8-12(16)13(17)18-9-11/h3-9H,1-2H3,(H,19,20)
InChIKeyFBHJBFAUKMNBSL-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.41
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-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide 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-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
4-[(5-bromo-6-chloro-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 114050182
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
2-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-methylbenzamide
CID 113434241
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282380
N-(5-bromo-6-chloro-3-pyridinyl)-2-(2-fluorophenyl)acetamide
CID 103816476
N-(6-chloropyrazin-2-yl)-2-methyl-2-phenylpropanamide
CID 104820021
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide (CID 103816430) is N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1cnc(Cl)c(Br)c1)c1ccccc1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide?
The InChIKey is FBHJBFAUKMNBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-15(2,10-6-4-3-5-7-10)14(20)19-11-8-12(16)13(17)18-9-11/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide has a molecular weight of 353.65 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 103816430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).