2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide

C16H14ClF3N2O — CID 164676869

IUPAC2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccn1
InChIInChI=1S/C16H14ClF3N2O/c1-15(2,13-5-3-4-8-21-13)22-14(23)11-9-10(16(18,19)20)6-7-12(11)17/h3-9H,1-2H3,(H,22,23)
InChIKeyJNSOFYHAFOKWMC-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.42
Rot. Bonds3

About 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide

2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide (PubChem CID 164676869) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
PubChem CID164676869
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccn1
InChIInChI=1S/C16H14ClF3N2O/c1-15(2,13-5-3-4-8-21-13)22-14(23)11-9-10(16(18,19)20)6-7-12(11)17/h3-9H,1-2H3,(H,22,23)
InChIKeyJNSOFYHAFOKWMC-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide (CID 164676869) is 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide is CC(C)(NC(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccn1.
What is the InChIKey of 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is JNSOFYHAFOKWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c1-15(2,13-5-3-4-8-21-13)22-14(23)11-9-10(16(18,19)20)6-7-12(11)17/h3-9H,1-2H3,(H,22,23).
What are the key properties of 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide?
2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 342.75 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyridin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 164676869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).