[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate

C16H14ClF3N2O4 — CID 146506265

IUPAC[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCN(OC(=O)C(F)(F)F)CC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H14ClF3N2O4/c17-10-1-2-12-9(7-10)8-13(25-12)14(23)21-11-3-5-22(6-4-11)26-15(24)16(18,19)20/h1-2,7-8,11H,3-6H2,(H,21,23)
InChIKeyCZIUDNFOHROXEL-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.30
Rot. Bonds3

About [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 146506265) has the molecular formula C16H14ClF3N2O4 and a molecular weight of 390.75 g/mol. Its IUPAC name is [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID146506265
Molecular FormulaC16H14ClF3N2O4
Molecular Weight390.75 g/mol
Exact Mass390.06
IUPAC Name[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCN(OC(=O)C(F)(F)F)CC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H14ClF3N2O4/c17-10-1-2-12-9(7-10)8-13(25-12)14(23)21-11-3-5-22(6-4-11)26-15(24)16(18,19)20/h1-2,7-8,11H,3-6H2,(H,21,23)
InChIKeyCZIUDNFOHROXEL-UHFFFAOYSA-N
XLogP3.30
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155069098
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 175471553
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
CID 91950569
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 146506265) is [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(NC1CCN(OC(=O)C(F)(F)F)CC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is CZIUDNFOHROXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4/c17-10-1-2-12-9(7-10)8-13(25-12)14(23)21-11-3-5-22(6-4-11)26-15(24)16(18,19)20/h1-2,7-8,11H,3-6H2,(H,21,23).
What are the key properties of [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 390.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 146506265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).