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

C19H20F2N2O2 — CID 91629817

IUPAC2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C19H20F2N2O2/c20-16-4-3-14(17(21)11-16)10-18(24)23-19(13-5-8-25-9-6-13)15-2-1-7-22-12-15/h1-4,7,11-13,19H,5-6,8-10H2,(H,23,24)
InChIKeySPVUFLPRCPMWLX-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.19
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide (PubChem CID 91629817) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
PubChem CID91629817
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C19H20F2N2O2/c20-16-4-3-14(17(21)11-16)10-18(24)23-19(13-5-8-25-9-6-13)15-2-1-7-22-12-15/h1-4,7,11-13,19H,5-6,8-10H2,(H,23,24)
InChIKeySPVUFLPRCPMWLX-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide (CID 91629817) is 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1F)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The InChIKey is SPVUFLPRCPMWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-4-3-14(17(21)11-16)10-18(24)23-19(13-5-8-25-9-6-13)15-2-1-7-22-12-15/h1-4,7,11-13,19H,5-6,8-10H2,(H,23,24).
What are the key properties of 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 91629817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).