2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide

C13H11Cl2N3O — CID 1147682

IUPAC2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-6-8(2)17-13(16-7)18-12(19)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyJWPWDKKAYRBJAZ-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

About 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide

2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide (PubChem CID 1147682) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
PubChem CID1147682
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-6-8(2)17-13(16-7)18-12(19)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyJWPWDKKAYRBJAZ-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide (CID 1147682) is 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide is Cc1cc(C)nc(NC(=O)c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The InChIKey is JWPWDKKAYRBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-6-8(2)17-13(16-7)18-12(19)11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide has a molecular weight of 296.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 1147682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).