4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

C13H12ClN3O3 — CID 2148478

IUPAC4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,19)
InChIKeyVGXBJKIGFZWIME-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.99
Rot. Bonds2

About 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (PubChem CID 2148478) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
PubChem CID2148478
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,19)
InChIKeyVGXBJKIGFZWIME-UHFFFAOYSA-N
XLogP0.99
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (CID 2148478) is 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is Cn1c(NC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The InChIKey is VGXBJKIGFZWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,19).
What are the key properties of 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide has a molecular weight of 293.71 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is sourced from PubChem (CID 2148478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).