N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide

C12H9Cl2N3O — CID 114050120

IUPACN-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7-4-2-3-5-8(7)12(18)17-11-9(13)10(14)15-6-16-11/h2-6H,1H3,(H,15,16,17,18)
InChIKeyKAMMUBLCZSEVKA-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide

N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide (PubChem CID 114050120) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
PubChem CID114050120
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7-4-2-3-5-8(7)12(18)17-11-9(13)10(14)15-6-16-11/h2-6H,1H3,(H,15,16,17,18)
InChIKeyKAMMUBLCZSEVKA-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide
CID 114049601
N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114050146
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-bromo-N-(4,6-dichloropyrimidin-5-yl)-3-methylbenzamide
CID 114074346
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide
CID 114050083
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
The IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide (CID 114050120) is N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
The canonical SMILES for N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
The InChIKey is KAMMUBLCZSEVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-4-2-3-5-8(7)12(18)17-11-9(13)10(14)15-6-16-11/h2-6H,1H3,(H,15,16,17,18).
What are the key properties of N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide?
N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloropyrimidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 114050120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).