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

C19H22FN3O2 — CID 110119315

IUPAC3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide
SMILESO=C(CCc1cccc(F)c1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C19H22FN3O2/c20-16-5-3-4-14(10-16)7-8-18(24)21-11-15-12-22-19(23-13-15)17-6-1-2-9-25-17/h3-5,10,12-13,17H,1-2,6-9,11H2,(H,21,24)
InChIKeyAVYFXDKIYSLYRM-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.11
Rot. Bonds6

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

3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide (PubChem CID 110119315) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide
PubChem CID110119315
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide
SMILESO=C(CCc1cccc(F)c1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C19H22FN3O2/c20-16-5-3-4-14(10-16)7-8-18(24)21-11-15-12-22-19(23-13-15)17-6-1-2-9-25-17/h3-5,10,12-13,17H,1-2,6-9,11H2,(H,21,24)
InChIKeyAVYFXDKIYSLYRM-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-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide (CID 110119315) is 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide is O=C(CCc1cccc(F)c1)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The InChIKey is AVYFXDKIYSLYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-5-3-4-14(10-16)7-8-18(24)21-11-15-12-22-19(23-13-15)17-6-1-2-9-25-17/h3-5,10,12-13,17H,1-2,6-9,11H2,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
3-(3-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-(3-fluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]propanamide is sourced from PubChem (CID 110119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).