N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

C12H10ClFN4O3 — CID 63557982

IUPACN-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C12H10ClFN4O3/c13-7-2-1-6(3-9(7)15)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)
InChIKeyLTUGRQXMSOTURX-UHFFFAOYSA-N
MW312.69 g/mol
LogP0.55
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 63557982) has the molecular formula C12H10ClFN4O3 and a molecular weight of 312.69 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID63557982
Molecular FormulaC12H10ClFN4O3
Molecular Weight312.69 g/mol
Exact Mass312.04
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESNc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C12H10ClFN4O3/c13-7-2-1-6(3-9(7)15)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)
InChIKeyLTUGRQXMSOTURX-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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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558183
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 63800080
N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558377
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 63801302
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 63799556
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide
CID 169086181
N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 29046897

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 63557982) is N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is Nc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is LTUGRQXMSOTURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O3/c13-7-2-1-6(3-9(7)15)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-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(3-amino-4-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-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63557982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).