2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide

C12H10ClN3O — CID 669885

IUPAC2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncccn1
InChIInChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
InChIKeyRHMYHGQXWBKCMJ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide

2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide (PubChem CID 669885) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide
PubChem CID669885
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncccn1
InChIInChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
InChIKeyRHMYHGQXWBKCMJ-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide (CID 669885) is 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide is O=C(Cc1ccc(Cl)cc1)Nc1ncccn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is RHMYHGQXWBKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17).
What are the key properties of 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide?
2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 247.69 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 669885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).