2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide

C18H19F2N3O2 — CID 110117801

IUPAC2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H19F2N3O2/c19-14-5-4-12(7-15(14)20)8-17(24)21-9-13-10-22-18(23-11-13)16-3-1-2-6-25-16/h4-5,7,10-11,16H,1-3,6,8-9H2,(H,21,24)
InChIKeyYHIRFSQXVNYVCX-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.86
Rot. Bonds5

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

2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (PubChem CID 110117801) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
PubChem CID110117801
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H19F2N3O2/c19-14-5-4-12(7-15(14)20)8-17(24)21-9-13-10-22-18(23-11-13)16-3-1-2-6-25-16/h4-5,7,10-11,16H,1-3,6,8-9H2,(H,21,24)
InChIKeyYHIRFSQXVNYVCX-UHFFFAOYSA-N
XLogP2.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide (CID 110117801) is 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is O=C(Cc1ccc(F)c(F)c1)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
The InChIKey is YHIRFSQXVNYVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-14-5-4-12(7-15(14)20)8-17(24)21-9-13-10-22-18(23-11-13)16-3-1-2-6-25-16/h4-5,7,10-11,16H,1-3,6,8-9H2,(H,21,24).
What are the key properties of 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide?
2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 110117801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).