2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

C19H22FN3O3 — CID 110117798

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cnc(C3CCCCO3)nc2)cc1F
InChIInChI=1S/C19H22FN3O3/c1-25-16-6-5-13(8-15(16)20)9-18(24)21-10-14-11-22-19(23-12-14)17-4-2-3-7-26-17/h5-6,8,11-12,17H,2-4,7,9-10H2,1H3,(H,21,24)
InChIKeyJEVGHIHGVIFXGX-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.72
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (PubChem CID 110117798) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
PubChem CID110117798
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cnc(C3CCCCO3)nc2)cc1F
InChIInChI=1S/C19H22FN3O3/c1-25-16-6-5-13(8-15(16)20)9-18(24)21-10-14-11-22-19(23-12-14)17-4-2-3-7-26-17/h5-6,8,11-12,17H,2-4,7,9-10H2,1H3,(H,21,24)
InChIKeyJEVGHIHGVIFXGX-UHFFFAOYSA-N
XLogP2.72
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (CID 110117798) is 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is COc1ccc(CC(=O)NCc2cnc(C3CCCCO3)nc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The InChIKey is JEVGHIHGVIFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-25-16-6-5-13(8-15(16)20)9-18(24)21-10-14-11-22-19(23-12-14)17-4-2-3-7-26-17/h5-6,8,11-12,17H,2-4,7,9-10H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 110117798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).