2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide

C16H16BrCl2N3O3 — CID 99789325

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16BrCl2N3O3/c1-16(2,9-3-4-11(18)12(19)5-9)8-20-13(23)7-22-6-10(17)14(24)21-15(22)25/h3-6H,7-8H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeyGTHDLVPWZDCVLD-UHFFFAOYSA-N
MW449.13 g/mol
LogP2.70
Rot. Bonds5

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide (PubChem CID 99789325) has the molecular formula C16H16BrCl2N3O3 and a molecular weight of 449.13 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide
PubChem CID99789325
Molecular FormulaC16H16BrCl2N3O3
Molecular Weight449.13 g/mol
Exact Mass446.98
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16BrCl2N3O3/c1-16(2,9-3-4-11(18)12(19)5-9)8-20-13(23)7-22-6-10(17)14(24)21-15(22)25/h3-6H,7-8H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeyGTHDLVPWZDCVLD-UHFFFAOYSA-N
XLogP2.70
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.13
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide (CID 99789325) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide?
The InChIKey is GTHDLVPWZDCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N3O3/c1-16(2,9-3-4-11(18)12(19)5-9)8-20-13(23)7-22-6-10(17)14(24)21-15(22)25/h3-6H,7-8H2,1-2H3,(H,20,23)(H,21,24,25).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide has a molecular weight of 449.13 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 99789325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).