2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide

C13H12ClN3O2 — CID 655197

IUPAC2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1
InChIInChI=1S/C13H12ClN3O2/c1-9(19-11-5-3-10(14)4-6-11)12(18)17-13-15-7-2-8-16-13/h2-9H,1H3,(H,15,16,17,18)
InChIKeyRKLGVEPSJSFGTO-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide

2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide (PubChem CID 655197) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide
PubChem CID655197
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1
InChIInChI=1S/C13H12ClN3O2/c1-9(19-11-5-3-10(14)4-6-11)12(18)17-13-15-7-2-8-16-13/h2-9H,1H3,(H,15,16,17,18)
InChIKeyRKLGVEPSJSFGTO-UHFFFAOYSA-N
XLogP2.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide (CID 655197) is 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The InChIKey is RKLGVEPSJSFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-9(19-11-5-3-10(14)4-6-11)12(18)17-13-15-7-2-8-16-13/h2-9H,1H3,(H,15,16,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide?
2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide has a molecular weight of 277.71 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 655197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).