N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide

C18H14ClF5N2O — CID 2200338

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H14ClF5N2O/c19-10-8-9(4-5-11(10)26-6-2-1-3-7-26)25-18(27)12-13(20)15(22)17(24)16(23)14(12)21/h4-5,8H,1-3,6-7H2,(H,25,27)
InChIKeyKQTQNHBBDKCZKL-UHFFFAOYSA-N
MW404.77 g/mol
LogP5.28
Rot. Bonds3

About N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide

N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2200338) has the molecular formula C18H14ClF5N2O and a molecular weight of 404.77 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID2200338
Molecular FormulaC18H14ClF5N2O
Molecular Weight404.77 g/mol
Exact Mass404.07
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H14ClF5N2O/c19-10-8-9(4-5-11(10)26-6-2-1-3-7-26)25-18(27)12-13(20)15(22)17(24)16(23)14(12)21/h4-5,8H,1-3,6-7H2,(H,25,27)
InChIKeyKQTQNHBBDKCZKL-UHFFFAOYSA-N
XLogP5.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide (CID 2200338) is N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is KQTQNHBBDKCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF5N2O/c19-10-8-9(4-5-11(10)26-6-2-1-3-7-26)25-18(27)12-13(20)15(22)17(24)16(23)14(12)21/h4-5,8H,1-3,6-7H2,(H,25,27).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 404.77 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2200338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).