2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide

C19H19ClF2N2O — CID 46891144

IUPAC2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1(F)CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClF2N2O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18(25)24-12-19(22)7-9-23-10-8-19/h1-6,11,23H,7-10,12H2,(H,24,25)
InChIKeyQZHQGKPLHXJZRJ-UHFFFAOYSA-N
MW364.82 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide

2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide (PubChem CID 46891144) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide
PubChem CID46891144
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC Name2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1(F)CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClF2N2O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18(25)24-12-19(22)7-9-23-10-8-19/h1-6,11,23H,7-10,12H2,(H,24,25)
InChIKeyQZHQGKPLHXJZRJ-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide (CID 46891144) is 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide is O=C(NCC1(F)CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide?
The InChIKey is QZHQGKPLHXJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18(25)24-12-19(22)7-9-23-10-8-19/h1-6,11,23H,7-10,12H2,(H,24,25).
What are the key properties of 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide?
2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide has a molecular weight of 364.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 46891144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).