N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

C12H10ClN3O2 — CID 115679492

IUPACN-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c13-9-2-1-3-10(6-9)15-11(17)7-16-8-14-5-4-12(16)18/h1-6,8H,7H2,(H,15,17)
InChIKeyRYZCIYAPMXSDML-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.54
Rot. Bonds3

About N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 115679492) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID115679492
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c13-9-2-1-3-10(6-9)15-11(17)7-16-8-14-5-4-12(16)18/h1-6,8H,7H2,(H,15,17)
InChIKeyRYZCIYAPMXSDML-UHFFFAOYSA-N
XLogP1.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 115679492) is N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnccc1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is RYZCIYAPMXSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-2-1-3-10(6-9)15-11(17)7-16-8-14-5-4-12(16)18/h1-6,8H,7H2,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 263.68 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115679492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).