N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide

C14H14BrN3O — CID 58046578

IUPACN-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cc1-c1ncccn1
InChIInChI=1S/C14H14BrN3O/c1-9(2)14(19)18-12-5-4-10(15)8-11(12)13-16-6-3-7-17-13/h3-9H,1-2H3,(H,18,19)
InChIKeyMNYXIQWPSUFKBH-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.50
Rot. Bonds3

About N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide

N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide (PubChem CID 58046578) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide
PubChem CID58046578
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cc1-c1ncccn1
InChIInChI=1S/C14H14BrN3O/c1-9(2)14(19)18-12-5-4-10(15)8-11(12)13-16-6-3-7-17-13/h3-9H,1-2H3,(H,18,19)
InChIKeyMNYXIQWPSUFKBH-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide (CID 58046578) is N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Br)cc1-c1ncccn1.
What is the InChIKey of N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide?
The InChIKey is MNYXIQWPSUFKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9(2)14(19)18-12-5-4-10(15)8-11(12)13-16-6-3-7-17-13/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide?
N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide has a molecular weight of 320.19 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyrimidin-2-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 58046578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).