2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide

C15H18F2N2O3 — CID 144743989

IUPAC2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CC2CCOCC2)c(F)c1F
InChIInChI=1S/C15H18F2N2O3/c16-13-10(1-2-11(14(13)17)15(18)21)8-19-12(20)7-9-3-5-22-6-4-9/h1-2,9H,3-8H2,(H2,18,21)(H,19,20)
InChIKeyDKFNEQLVXHFWNS-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.50
Rot. Bonds5

About 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide

2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide (PubChem CID 144743989) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide
PubChem CID144743989
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CC2CCOCC2)c(F)c1F
InChIInChI=1S/C15H18F2N2O3/c16-13-10(1-2-11(14(13)17)15(18)21)8-19-12(20)7-9-3-5-22-6-4-9/h1-2,9H,3-8H2,(H2,18,21)(H,19,20)
InChIKeyDKFNEQLVXHFWNS-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide (CID 144743989) is 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide is NC(=O)c1ccc(CNC(=O)CC2CCOCC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide?
The InChIKey is DKFNEQLVXHFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c16-13-10(1-2-11(14(13)17)15(18)21)8-19-12(20)7-9-3-5-22-6-4-9/h1-2,9H,3-8H2,(H2,18,21)(H,19,20).
What are the key properties of 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide?
2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide has a molecular weight of 312.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[[[2-(oxan-4-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 144743989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).