2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide

C21H20ClF2N3O3 — CID 86898999

IUPAC2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NC1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1)c1ccccc1F
InChIInChI=1S/C21H20ClF2N3O3/c22-15-5-3-7-17(24)19(15)21(30)25-12-18(28)27-10-8-13(9-11-27)26-20(29)14-4-1-2-6-16(14)23/h1-7,13H,8-12H2,(H,25,30)(H,26,29)
InChIKeyIDMDYGFCNIVTOR-UHFFFAOYSA-N
MW435.86 g/mol
LogP2.77
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide

2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 86898999) has the molecular formula C21H20ClF2N3O3 and a molecular weight of 435.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID86898999
Molecular FormulaC21H20ClF2N3O3
Molecular Weight435.86 g/mol
Exact Mass435.12
IUPAC Name2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NC1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1)c1ccccc1F
InChIInChI=1S/C21H20ClF2N3O3/c22-15-5-3-7-17(24)19(15)21(30)25-12-18(28)27-10-8-13(9-11-27)26-20(29)14-4-1-2-6-16(14)23/h1-7,13H,8-12H2,(H,25,30)(H,26,29)
InChIKeyIDMDYGFCNIVTOR-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide (CID 86898999) is 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NC1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1)c1ccccc1F.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is IDMDYGFCNIVTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O3/c22-15-5-3-7-17(24)19(15)21(30)25-12-18(28)27-10-8-13(9-11-27)26-20(29)14-4-1-2-6-16(14)23/h1-7,13H,8-12H2,(H,25,30)(H,26,29).
What are the key properties of 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 435.86 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 86898999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).