2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide

C20H15Br2FN4O4 — CID 5064288

IUPAC2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide
SMILESO=C(Cn1cc(F)c(=O)n(CC(=O)Nc2ccccc2Br)c1=O)Nc1ccccc1Br
InChIInChI=1S/C20H15Br2FN4O4/c21-12-5-1-3-7-15(12)24-17(28)10-26-9-14(23)19(30)27(20(26)31)11-18(29)25-16-8-4-2-6-13(16)22/h1-9H,10-11H2,(H,24,28)(H,25,29)
InChIKeyPBQKRGSOHSZBAP-UHFFFAOYSA-N
MW554.17 g/mol
LogP2.95
Rot. Bonds6

About 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide

2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide (PubChem CID 5064288) has the molecular formula C20H15Br2FN4O4 and a molecular weight of 554.17 g/mol. Its IUPAC name is 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide
PubChem CID5064288
Molecular FormulaC20H15Br2FN4O4
Molecular Weight554.17 g/mol
Exact Mass551.94
IUPAC Name2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide
SMILESO=C(Cn1cc(F)c(=O)n(CC(=O)Nc2ccccc2Br)c1=O)Nc1ccccc1Br
InChIInChI=1S/C20H15Br2FN4O4/c21-12-5-1-3-7-15(12)24-17(28)10-26-9-14(23)19(30)27(20(26)31)11-18(29)25-16-8-4-2-6-13(16)22/h1-9H,10-11H2,(H,24,28)(H,25,29)
InChIKeyPBQKRGSOHSZBAP-UHFFFAOYSA-N
XLogP2.95
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.17
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342718
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 104505678
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
CID 52906421
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2-methylphenyl)acetamide
CID 114760909
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061509
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide (CID 5064288) is 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide is O=C(Cn1cc(F)c(=O)n(CC(=O)Nc2ccccc2Br)c1=O)Nc1ccccc1Br.
What is the InChIKey of 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide?
The InChIKey is PBQKRGSOHSZBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2FN4O4/c21-12-5-1-3-7-15(12)24-17(28)10-26-9-14(23)19(30)27(20(26)31)11-18(29)25-16-8-4-2-6-13(16)22/h1-9H,10-11H2,(H,24,28)(H,25,29).
What are the key properties of 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide?
2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide has a molecular weight of 554.17 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 5064288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).