N-(2-chloropyrimidin-4-yl)-4-methylbenzamide

C12H10ClN3O — CID 116798530

IUPACN-(2-chloropyrimidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C12H10ClN3O/c1-8-2-4-9(5-3-8)11(17)15-10-6-7-14-12(13)16-10/h2-7H,1H3,(H,14,15,16,17)
InChIKeyVEIHMZWJANMRHJ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-4-methylbenzamide

N-(2-chloropyrimidin-4-yl)-4-methylbenzamide (PubChem CID 116798530) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-4-methylbenzamide
PubChem CID116798530
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-(2-chloropyrimidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C12H10ClN3O/c1-8-2-4-9(5-3-8)11(17)15-10-6-7-14-12(13)16-10/h2-7H,1H3,(H,14,15,16,17)
InChIKeyVEIHMZWJANMRHJ-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
CID 114824082
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
CID 103123881
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
N-(2-chloropyrimidin-4-yl)-2H-triazole-4-carboxamide
CID 116795222
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methylbenzamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methylbenzamide (CID 116798530) is N-(2-chloropyrimidin-4-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-4-methylbenzamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccnc(Cl)n2)cc1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-4-methylbenzamide?
The InChIKey is VEIHMZWJANMRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-2-4-9(5-3-8)11(17)15-10-6-7-14-12(13)16-10/h2-7H,1H3,(H,14,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-4-methylbenzamide?
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-4-methylbenzamide is sourced from PubChem (CID 116798530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).