2-amino-3-chloro-N-pyrimidin-4-ylbenzamide

C11H9ClN4O — CID 82547270

IUPAC2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ccncn1
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-2-7(10(8)13)11(17)16-9-4-5-14-6-15-9/h1-6H,13H2,(H,14,15,16,17)
InChIKeyCVQXOQILJPGPGF-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide

2-amino-3-chloro-N-pyrimidin-4-ylbenzamide (PubChem CID 82547270) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
PubChem CID82547270
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1ccncn1
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-2-7(10(8)13)11(17)16-9-4-5-14-6-15-9/h1-6H,13H2,(H,14,15,16,17)
InChIKeyCVQXOQILJPGPGF-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'}

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Related Compounds

2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 113331765
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
CID 115540802
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
5-chloro-2-hydroxy-N-pyrimidin-4-ylbenzamide
CID 156706077
8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide
CID 110487208
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide?
The IUPAC name of 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide (CID 82547270) is 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide?
The canonical SMILES for 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide is Nc1c(Cl)cccc1C(=O)Nc1ccncn1.
What is the InChIKey of 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide?
The InChIKey is CVQXOQILJPGPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-3-1-2-7(10(8)13)11(17)16-9-4-5-14-6-15-9/h1-6H,13H2,(H,14,15,16,17).
What are the key properties of 2-amino-3-chloro-N-pyrimidin-4-ylbenzamide?
2-amino-3-chloro-N-pyrimidin-4-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-3-chloro-N-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 82547270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).