2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide

C16H20ClF3N2O — CID 155522266

IUPAC2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2c(Cl)cccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20ClF3N2O/c1-10(2)22-8-6-11(7-9-22)21-15(23)14-12(16(18,19)20)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)
InChIKeyJFQNNVMMFXPKGK-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide

2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide (PubChem CID 155522266) has the molecular formula C16H20ClF3N2O and a molecular weight of 348.80 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
PubChem CID155522266
Molecular FormulaC16H20ClF3N2O
Molecular Weight348.80 g/mol
Exact Mass348.12
IUPAC Name2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2c(Cl)cccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20ClF3N2O/c1-10(2)22-8-6-11(7-9-22)21-15(23)14-12(16(18,19)20)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)
InChIKeyJFQNNVMMFXPKGK-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide (CID 155522266) is 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide is CC(C)N1CCC(NC(=O)c2c(Cl)cccc2C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The InChIKey is JFQNNVMMFXPKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O/c1-10(2)22-8-6-11(7-9-22)21-15(23)14-12(16(18,19)20)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide has a molecular weight of 348.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 155522266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).