3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide

C13H12ClN3O — CID 885074

IUPAC3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN3O/c1-8-6-9(2)16-13(15-8)17-12(18)10-4-3-5-11(14)7-10/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeySZPYQVPTWBALFF-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.00
Rot. Bonds2

About 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide

3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide (PubChem CID 885074) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
PubChem CID885074
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN3O/c1-8-6-9(2)16-13(15-8)17-12(18)10-4-3-5-11(14)7-10/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeySZPYQVPTWBALFF-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide (CID 885074) is 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide is Cc1cc(C)nc(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
The InChIKey is SZPYQVPTWBALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-6-9(2)16-13(15-8)17-12(18)10-4-3-5-11(14)7-10/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide?
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide has a molecular weight of 261.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 885074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).