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

C19H22FN3O3 — CID 124968940

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cnc([C@@H]3CCCCO3)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)/t17-/m0/s1
InChIKeyJEVGHIHGVIFXGX-KRWDZBQOSA-N
MW359.40 g/mol
LogP2.72
Rot. Bonds6

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

2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 124968940) 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-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID124968940
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cnc([C@@H]3CCCCO3)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)/t17-/m0/s1
InChIKeyJEVGHIHGVIFXGX-KRWDZBQOSA-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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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782
2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124978968
2-(4-methoxyphenoxy)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117732
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124950410
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 124968940) is 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is COc1ccc(CC(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is JEVGHIHGVIFXGX-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-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-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 124968940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).