2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

C18H15ClF5N3O — CID 55708556

IUPAC2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H15ClF5N3O/c19-13-8-15(21)14(20)7-12(13)17(28)26-11-3-5-27(6-4-11)16-2-1-10(9-25-16)18(22,23)24/h1-2,7-9,11H,3-6H2,(H,26,28)
InChIKeyGJIDIMDOTFZWKX-UHFFFAOYSA-N
MW419.78 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 55708556) has the molecular formula C18H15ClF5N3O and a molecular weight of 419.78 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
PubChem CID55708556
Molecular FormulaC18H15ClF5N3O
Molecular Weight419.78 g/mol
Exact Mass419.08
IUPAC Name2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H15ClF5N3O/c19-13-8-15(21)14(20)7-12(13)17(28)26-11-3-5-27(6-4-11)16-2-1-10(9-25-16)18(22,23)24/h1-2,7-9,11H,3-6H2,(H,26,28)
InChIKeyGJIDIMDOTFZWKX-UHFFFAOYSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (CID 55708556) is 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is GJIDIMDOTFZWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF5N3O/c19-13-8-15(21)14(20)7-12(13)17(28)26-11-3-5-27(6-4-11)16-2-1-10(9-25-16)18(22,23)24/h1-2,7-9,11H,3-6H2,(H,26,28).
What are the key properties of 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 419.78 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55708556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).