2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide

C13H11Cl2N3O — CID 670750

IUPAC2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-5-8(2)17-13(16-7)18-12(19)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyCOCFRXZQRWHCST-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

About 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide

2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide (PubChem CID 670750) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
PubChem CID670750
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-5-8(2)17-13(16-7)18-12(19)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3,(H,16,17,18,19)
InChIKeyCOCFRXZQRWHCST-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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Related Compounds

5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114917203
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 6481030
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide (CID 670750) is 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide is Cc1cc(C)nc(NC(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The InChIKey is COCFRXZQRWHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-5-8(2)17-13(16-7)18-12(19)10-6-9(14)3-4-11(10)15/h3-6H,1-2H3,(H,16,17,18,19).
What are the key properties of 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
2,5-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 2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 670750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).