N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide

C13H12BrN3O2 — CID 114760013

IUPACN-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
SMILESNc1ccccc1NC(=O)Cn1cccc(Br)c1=O
InChIInChI=1S/C13H12BrN3O2/c14-9-4-3-7-17(13(9)19)8-12(18)16-11-6-2-1-5-10(11)15/h1-7H,8,15H2,(H,16,18)
InChIKeyWFBSOXMDXQTRAQ-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.83
Rot. Bonds3

About N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide

N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide (PubChem CID 114760013) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
PubChem CID114760013
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
SMILESNc1ccccc1NC(=O)Cn1cccc(Br)c1=O
InChIInChI=1S/C13H12BrN3O2/c14-9-4-3-7-17(13(9)19)8-12(18)16-11-6-2-1-5-10(11)15/h1-7H,8,15H2,(H,16,18)
InChIKeyWFBSOXMDXQTRAQ-UHFFFAOYSA-N
XLogP1.83
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide (CID 114760013) is N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide is Nc1ccccc1NC(=O)Cn1cccc(Br)c1=O.
What is the InChIKey of N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide?
The InChIKey is WFBSOXMDXQTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-9-4-3-7-17(13(9)19)8-12(18)16-11-6-2-1-5-10(11)15/h1-7H,8,15H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide?
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide has a molecular weight of 322.16 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 114760013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).