3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide

C19H22FN3O2 — CID 110117777

IUPAC3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C19H22FN3O2/c20-16-6-2-1-5-15(16)8-9-18(24)21-11-14-12-22-19(23-13-14)17-7-3-4-10-25-17/h1-2,5-6,12-13,17H,3-4,7-11H2,(H,21,24)
InChIKeyXSPRCYPUZZSLPV-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.11
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide

3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide (PubChem CID 110117777) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide
PubChem CID110117777
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C19H22FN3O2/c20-16-6-2-1-5-15(16)8-9-18(24)21-11-14-12-22-19(23-13-14)17-7-3-4-10-25-17/h1-2,5-6,12-13,17H,3-4,7-11H2,(H,21,24)
InChIKeyXSPRCYPUZZSLPV-UHFFFAOYSA-N
XLogP3.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide (CID 110117777) is 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide is O=C(CCc1ccccc1F)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The InChIKey is XSPRCYPUZZSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-6-2-1-5-15(16)8-9-18(24)21-11-14-12-22-19(23-13-14)17-7-3-4-10-25-17/h1-2,5-6,12-13,17H,3-4,7-11H2,(H,21,24).
What are the key properties of 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide has a molecular weight of 343.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide is sourced from PubChem (CID 110117777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).