3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide

C20H24FN3O2 — CID 110117890

IUPAC3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide
SMILESCC1(c2ncc(CNC(=O)CCc3ccc(F)cc3)cn2)CCCCO1
InChIInChI=1S/C20H24FN3O2/c1-20(10-2-3-11-26-20)19-23-13-16(14-24-19)12-22-18(25)9-6-15-4-7-17(21)8-5-15/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,22,25)
InChIKeyLEUZBBOJQYWCRH-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.28
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide

3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide (PubChem CID 110117890) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide
PubChem CID110117890
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide
SMILESCC1(c2ncc(CNC(=O)CCc3ccc(F)cc3)cn2)CCCCO1
InChIInChI=1S/C20H24FN3O2/c1-20(10-2-3-11-26-20)19-23-13-16(14-24-19)12-22-18(25)9-6-15-4-7-17(21)8-5-15/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,22,25)
InChIKeyLEUZBBOJQYWCRH-UHFFFAOYSA-N
XLogP3.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide (CID 110117890) is 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide is CC1(c2ncc(CNC(=O)CCc3ccc(F)cc3)cn2)CCCCO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
The InChIKey is LEUZBBOJQYWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-20(10-2-3-11-26-20)19-23-13-16(14-24-19)12-22-18(25)9-6-15-4-7-17(21)8-5-15/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]propanamide is sourced from PubChem (CID 110117890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).