5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide

C12H10ClN3O4 — CID 4173907

IUPAC5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O4/c1-20-8-3-2-6(13)4-7(8)11(18)14-9-5-10(17)16-12(19)15-9/h2-5H,1H3,(H3,14,15,16,17,18,19)
InChIKeyDDBPHMMPEBACHP-UHFFFAOYSA-N
MW295.68 g/mol
LogP0.98
Rot. Bonds3

About 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide

5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide (PubChem CID 4173907) has the molecular formula C12H10ClN3O4 and a molecular weight of 295.68 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
PubChem CID4173907
Molecular FormulaC12H10ClN3O4
Molecular Weight295.68 g/mol
Exact Mass295.04
IUPAC Name5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O4/c1-20-8-3-2-6(13)4-7(8)11(18)14-9-5-10(17)16-12(19)15-9/h2-5H,1H3,(H3,14,15,16,17,18,19)
InChIKeyDDBPHMMPEBACHP-UHFFFAOYSA-N
XLogP0.98
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide (CID 4173907) is 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide?
The InChIKey is DDBPHMMPEBACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4/c1-20-8-3-2-6(13)4-7(8)11(18)14-9-5-10(17)16-12(19)15-9/h2-5H,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide?
5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide has a molecular weight of 295.68 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide is sourced from PubChem (CID 4173907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).