2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide

C14H14BrN3O — CID 106312918

IUPAC2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2cccnc2Br)cc1
InChIInChI=1S/C14H14BrN3O/c1-9-4-6-10(7-5-9)12(16)14(19)18-11-3-2-8-17-13(11)15/h2-8,12H,16H2,1H3,(H,18,19)
InChIKeyVFTXFGLIKTVHRF-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide (PubChem CID 106312918) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide
PubChem CID106312918
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2cccnc2Br)cc1
InChIInChI=1S/C14H14BrN3O/c1-9-4-6-10(7-5-9)12(16)14(19)18-11-3-2-8-17-13(11)15/h2-8,12H,16H2,1H3,(H,18,19)
InChIKeyVFTXFGLIKTVHRF-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)acetamide
CID 106312111
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 106312235
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006
2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710
2-amino-2-(4-methylphenyl)-N-(2-propylphenyl)acetamide
CID 106312114
3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
CID 114051406
2-amino-N-(2-ethoxy-3-pyridinyl)-2-phenylacetamide
CID 43706621
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide (CID 106312918) is 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)Nc2cccnc2Br)cc1.
What is the InChIKey of 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide?
The InChIKey is VFTXFGLIKTVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-4-6-10(7-5-9)12(16)14(19)18-11-3-2-8-17-13(11)15/h2-8,12H,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide has a molecular weight of 320.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-3-pyridinyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).