N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide

C19H19ClF2N2O — CID 23723727

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide
SMILESO=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1c(F)cccc1F
InChIInChI=1S/C19H19ClF2N2O/c20-14-8-6-13(7-9-14)11-24-10-2-3-15(12-24)23-19(25)18-16(21)4-1-5-17(18)22/h1,4-9,15H,2-3,10-12H2,(H,23,25)
InChIKeyYGIJLNRXAHGMSZ-UHFFFAOYSA-N
MW364.82 g/mol
LogP4.01
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide (PubChem CID 23723727) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide
PubChem CID23723727
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide
SMILESO=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1c(F)cccc1F
InChIInChI=1S/C19H19ClF2N2O/c20-14-8-6-13(7-9-14)11-24-10-2-3-15(12-24)23-19(25)18-16(21)4-1-5-17(18)22/h1,4-9,15H,2-3,10-12H2,(H,23,25)
InChIKeyYGIJLNRXAHGMSZ-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide (CID 23723727) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide is O=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1c(F)cccc1F.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide?
The InChIKey is YGIJLNRXAHGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c20-14-8-6-13(7-9-14)11-24-10-2-3-15(12-24)23-19(25)18-16(21)4-1-5-17(18)22/h1,4-9,15H,2-3,10-12H2,(H,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide has a molecular weight of 364.82 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 23723727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).