2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide

C15H15Cl2N3O — CID 86712307

IUPAC2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-9(14(18)21)11-5-3-2-4-10(11)6-7-13-12(16)8-19-15(17)20-13/h2-5,8-9H,6-7H2,1H3,(H2,18,21)
InChIKeyYWVFNEJAHCAGQD-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.16
Rot. Bonds5

About 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide

2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide (PubChem CID 86712307) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide
PubChem CID86712307
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-9(14(18)21)11-5-3-2-4-10(11)6-7-13-12(16)8-19-15(17)20-13/h2-5,8-9H,6-7H2,1H3,(H2,18,21)
InChIKeyYWVFNEJAHCAGQD-UHFFFAOYSA-N
XLogP3.16
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide (CID 86712307) is 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide?
The InChIKey is YWVFNEJAHCAGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(14(18)21)11-5-3-2-4-10(11)6-7-13-12(16)8-19-15(17)20-13/h2-5,8-9H,6-7H2,1H3,(H2,18,21).
What are the key properties of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide?
2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide has a molecular weight of 324.21 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 86712307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).