2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide

C16H16F2N2O2 — CID 91920210

IUPAC2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide
SMILESO=C1CCC2(CNC(=O)c3cc(F)ccc3F)CCC=C2N1
InChIInChI=1S/C16H16F2N2O2/c17-10-3-4-12(18)11(8-10)15(22)19-9-16-6-1-2-13(16)20-14(21)5-7-16/h2-4,8H,1,5-7,9H2,(H,19,22)(H,20,21)
InChIKeyXSAYNYTUIVQXPF-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.27
Rot. Bonds3

About 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide

2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide (PubChem CID 91920210) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide
PubChem CID91920210
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide
SMILESO=C1CCC2(CNC(=O)c3cc(F)ccc3F)CCC=C2N1
InChIInChI=1S/C16H16F2N2O2/c17-10-3-4-12(18)11(8-10)15(22)19-9-16-6-1-2-13(16)20-14(21)5-7-16/h2-4,8H,1,5-7,9H2,(H,19,22)(H,20,21)
InChIKeyXSAYNYTUIVQXPF-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide (CID 91920210) is 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide is O=C1CCC2(CNC(=O)c3cc(F)ccc3F)CCC=C2N1.
What is the InChIKey of 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide?
The InChIKey is XSAYNYTUIVQXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-10-3-4-12(18)11(8-10)15(22)19-9-16-6-1-2-13(16)20-14(21)5-7-16/h2-4,8H,1,5-7,9H2,(H,19,22)(H,20,21).
What are the key properties of 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide?
2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide has a molecular weight of 306.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide is sourced from PubChem (CID 91920210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).