2-amino-4-chloro-N-pyrazin-2-ylbenzamide

C11H9ClN4O — CID 43616024

IUPAC2-amino-4-chloro-N-pyrazin-2-ylbenzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cnccn1
InChIInChI=1S/C11H9ClN4O/c12-7-1-2-8(9(13)5-7)11(17)16-10-6-14-3-4-15-10/h1-6H,13H2,(H,15,16,17)
InChIKeyVHYSABKSKDHJBJ-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-4-chloro-N-pyrazin-2-ylbenzamide

2-amino-4-chloro-N-pyrazin-2-ylbenzamide (PubChem CID 43616024) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-amino-4-chloro-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-pyrazin-2-ylbenzamide
PubChem CID43616024
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-amino-4-chloro-N-pyrazin-2-ylbenzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cnccn1
InChIInChI=1S/C11H9ClN4O/c12-7-1-2-8(9(13)5-7)11(17)16-10-6-14-3-4-15-10/h1-6H,13H2,(H,15,16,17)
InChIKeyVHYSABKSKDHJBJ-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-chloro-N-pyrazin-2-ylbenzamide 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

2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
CID 113305136
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
4-amino-6-methyl-N-pyrazin-2-ylpyridine-3-carboxamide
CID 81242289
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-pyrazin-2-ylbenzamide (CID 43616024) is 2-amino-4-chloro-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-pyrazin-2-ylbenzamide is Nc1cc(Cl)ccc1C(=O)Nc1cnccn1.
What is the InChIKey of 2-amino-4-chloro-N-pyrazin-2-ylbenzamide?
The InChIKey is VHYSABKSKDHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-7-1-2-8(9(13)5-7)11(17)16-10-6-14-3-4-15-10/h1-6H,13H2,(H,15,16,17).
What are the key properties of 2-amino-4-chloro-N-pyrazin-2-ylbenzamide?
2-amino-4-chloro-N-pyrazin-2-ylbenzamide has a molecular weight of 248.67 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 43616024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).