N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C13H10Br2N4O4 — CID 135683764

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C13H10Br2N4O4/c14-7-1-6(12(22)9(15)2-7)5-16-19-11(21)4-8-3-10(20)18-13(23)17-8/h1-3,5,22H,4H2,(H,19,21)(H2,17,18,20,23)/b16-5+
InChIKeyFCHAJNNAIASBBW-FZSIALSZSA-N
MW446.06 g/mol
LogP0.99
Rot. Bonds4

About N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 135683764) has the molecular formula C13H10Br2N4O4 and a molecular weight of 446.06 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID135683764
Molecular FormulaC13H10Br2N4O4
Molecular Weight446.06 g/mol
Exact Mass443.91
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C13H10Br2N4O4/c14-7-1-6(12(22)9(15)2-7)5-16-19-11(21)4-8-3-10(20)18-13(23)17-8/h1-3,5,22H,4H2,(H,19,21)(H2,17,18,20,23)/b16-5+
InChIKeyFCHAJNNAIASBBW-FZSIALSZSA-N
XLogP0.99
TPSA127.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.06
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137127270
2-(4-tert-butylphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 4235876
2-(4-butoxyphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 2247166
2-(4-chloro-3-methylphenoxy)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135607176
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 136904650
2-(2-bromo-4-methoxyphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 136791869
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 1367251
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 135425020
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
CID 135812048
2-(4-butan-2-ylphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135644121

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 135683764) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is FCHAJNNAIASBBW-FZSIALSZSA-N. The full InChI is InChI=1S/C13H10Br2N4O4/c14-7-1-6(12(22)9(15)2-7)5-16-19-11(21)4-8-3-10(20)18-13(23)17-8/h1-3,5,22H,4H2,(H,19,21)(H2,17,18,20,23)/b16-5+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 446.06 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).