2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H22FN3O4 — CID 41139392

IUPAC2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H22FN3O4/c21-15-11-23(18-9-4-10-28-18)20(27)24(19(15)26)12-17(25)22-16-8-3-6-13-5-1-2-7-14(13)16/h1-2,5,7,11,16,18H,3-4,6,8-10,12H2,(H,22,25)/t16-,18+/m1/s1
InChIKeyIBIKNIZTINZWSR-AEFFLSMTSA-N
MW387.41 g/mol
LogP1.65
Rot. Bonds4

About 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 41139392) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID41139392
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H22FN3O4/c21-15-11-23(18-9-4-10-28-18)20(27)24(19(15)26)12-17(25)22-16-8-3-6-13-5-1-2-7-14(13)16/h1-2,5,7,11,16,18H,3-4,6,8-10,12H2,(H,22,25)/t16-,18+/m1/s1
InChIKeyIBIKNIZTINZWSR-AEFFLSMTSA-N
XLogP1.65
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41139391
N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17392303
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7802621
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7046162
2-(4-cyano-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25387398
2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17415768
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51142666
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 41139392) is 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is IBIKNIZTINZWSR-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H22FN3O4/c21-15-11-23(18-9-4-10-28-18)20(27)24(19(15)26)12-17(25)22-16-8-3-6-13-5-1-2-7-14(13)16/h1-2,5,7,11,16,18H,3-4,6,8-10,12H2,(H,22,25)/t16-,18+/m1/s1.
What are the key properties of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 41139392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).