N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide

C19H15F2N3O — CID 50940926

IUPACN-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1
InChIInChI=1S/C19H15F2N3O/c1-2-18(25)24-19-22-16(12-7-3-5-9-14(12)20)11-17(23-19)13-8-4-6-10-15(13)21/h3-11H,2H2,1H3,(H,22,23,24,25)
InChIKeyJFRNXVVABUJBFV-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.44
Rot. Bonds4

About N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide

N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide (PubChem CID 50940926) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide
PubChem CID50940926
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1
InChIInChI=1S/C19H15F2N3O/c1-2-18(25)24-19-22-16(12-7-3-5-9-14(12)20)11-17(23-19)13-8-4-6-10-15(13)21/h3-11H,2H2,1H3,(H,22,23,24,25)
InChIKeyJFRNXVVABUJBFV-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide?
The IUPAC name of N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide (CID 50940926) is N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide?
The canonical SMILES for N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1.
What is the InChIKey of N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide?
The InChIKey is JFRNXVVABUJBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-2-18(25)24-19-22-16(12-7-3-5-9-14(12)20)11-17(23-19)13-8-4-6-10-15(13)21/h3-11H,2H2,1H3,(H,22,23,24,25).
What are the key properties of N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide?
N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide has a molecular weight of 339.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(2-fluorophenyl)pyrimidin-2-yl]propanamide is sourced from PubChem (CID 50940926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).