N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide

C18H13FN4O4 — CID 5131295

IUPACN-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H13FN4O4/c19-13-8-4-5-9-14(13)23-17(26)12(16(25)21-18(23)27)10-20-22-15(24)11-6-2-1-3-7-11/h1-10,26H,(H,22,24)(H,21,25,27)
InChIKeyHXIFIJABWCWQDK-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.13
Rot. Bonds4

About N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide

N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide (PubChem CID 5131295) has the molecular formula C18H13FN4O4 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
PubChem CID5131295
Molecular FormulaC18H13FN4O4
Molecular Weight368.32 g/mol
Exact Mass368.09
IUPAC NameN-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H13FN4O4/c19-13-8-4-5-9-14(13)23-17(26)12(16(25)21-18(23)27)10-20-22-15(24)11-6-2-1-3-7-11/h1-10,26H,(H,22,24)(H,21,25,27)
InChIKeyHXIFIJABWCWQDK-UHFFFAOYSA-N
XLogP1.13
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[1-(2-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289259
N-[(E)-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
CID 135421017
N-[(E)-[1-(2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 135684719
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
N-[(E)-[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 135469735
N-[(E)-[6-hydroxy-1-(2-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 135716465
[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135717075
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131
5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1379774
N-[(E)-[1-(3-chlorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]benzamide
CID 135420801
2-chloro-N-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 2024283
1-[(E)-(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3-phenylurea
CID 135822207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The IUPAC name of N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide (CID 5131295) is N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The canonical SMILES for N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide is O=C(NN=Cc1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The InChIKey is HXIFIJABWCWQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O4/c19-13-8-4-5-9-14(13)23-17(26)12(16(25)21-18(23)27)10-20-22-15(24)11-6-2-1-3-7-11/h1-10,26H,(H,22,24)(H,21,25,27).
What are the key properties of N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide has a molecular weight of 368.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide is sourced from PubChem (CID 5131295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).