2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide

C15H16ClN3O4 — CID 3246750

IUPAC2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H16ClN3O4/c1-9(23-11-6-4-5-10(16)7-11)14(21)17-12-8-13(20)19(3)15(22)18(12)2/h4-9H,1-3H3,(H,17,21)
InChIKeyIDQUJUPPZLTPKT-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.14
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide

2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide (PubChem CID 3246750) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide
PubChem CID3246750
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H16ClN3O4/c1-9(23-11-6-4-5-10(16)7-11)14(21)17-12-8-13(20)19(3)15(22)18(12)2/h4-9H,1-3H3,(H,17,21)
InChIKeyIDQUJUPPZLTPKT-UHFFFAOYSA-N
XLogP1.14
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide (CID 3246750) is 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide?
The InChIKey is IDQUJUPPZLTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-9(23-11-6-4-5-10(16)7-11)14(21)17-12-8-13(20)19(3)15(22)18(12)2/h4-9H,1-3H3,(H,17,21).
What are the key properties of 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide?
2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide has a molecular weight of 337.76 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)propanamide is sourced from PubChem (CID 3246750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).