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

C15H15BrN2O — CID 103819476

IUPACN-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccnc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-5-2-3-6-12(11)8-9-14(19)18-13-7-4-10-17-15(13)16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyCVJTYROJCIEGJU-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.72
Rot. Bonds4

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

N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide (PubChem CID 103819476) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
PubChem CID103819476
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccnc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-5-2-3-6-12(11)8-9-14(19)18-13-7-4-10-17-15(13)16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyCVJTYROJCIEGJU-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-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-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 102979199
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
CID 112535330
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 62367247
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
4-[3-(2-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63651301
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide (CID 103819476) is N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide?
The InChIKey is CVJTYROJCIEGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-5-2-3-6-12(11)8-9-14(19)18-13-7-4-10-17-15(13)16/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide?
N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide has a molecular weight of 319.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 103819476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).