N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

C12H10ClFN4O3 — CID 63558183

IUPACN-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c(Cl)c1
InChIInChI=1S/C12H10ClFN4O3/c13-7-3-6(15)1-2-9(7)16-10(19)5-18-4-8(14)11(20)17-12(18)21/h1-4H,5,15H2,(H,16,19)(H,17,20,21)
InChIKeyWCXHTPQCCKUORC-UHFFFAOYSA-N
MW312.69 g/mol
LogP0.55
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 63558183) has the molecular formula C12H10ClFN4O3 and a molecular weight of 312.69 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID63558183
Molecular FormulaC12H10ClFN4O3
Molecular Weight312.69 g/mol
Exact Mass312.04
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNc1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c(Cl)c1
InChIInChI=1S/C12H10ClFN4O3/c13-7-3-6(15)1-2-9(7)16-10(19)5-18-4-8(14)11(20)17-12(18)21/h1-4H,5,15H2,(H,16,19)(H,17,20,21)
InChIKeyWCXHTPQCCKUORC-UHFFFAOYSA-N
XLogP0.55
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.69
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 63558183) is N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is Nc1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is WCXHTPQCCKUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O3/c13-7-3-6(15)1-2-9(7)16-10(19)5-18-4-8(14)11(20)17-12(18)21/h1-4H,5,15H2,(H,16,19)(H,17,20,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 312.69 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63558183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).