N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide

C21H16ClF3N2O — CID 118121338

IUPACN-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(-c2ccccn2)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H16ClF3N2O/c22-18-13-15(19-7-3-4-11-26-19)9-8-14(18)10-12-27-20(28)16-5-1-2-6-17(16)21(23,24)25/h1-9,11,13H,10,12H2,(H,27,28)
InChIKeyFDXONOITJHCJBL-UHFFFAOYSA-N
MW404.82 g/mol
LogP5.39
Rot. Bonds5

About N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 118121338) has the molecular formula C21H16ClF3N2O and a molecular weight of 404.82 g/mol. Its IUPAC name is N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID118121338
Molecular FormulaC21H16ClF3N2O
Molecular Weight404.82 g/mol
Exact Mass404.09
IUPAC NameN-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(-c2ccccn2)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H16ClF3N2O/c22-18-13-15(19-7-3-4-11-26-19)9-8-14(18)10-12-27-20(28)16-5-1-2-6-17(16)21(23,24)25/h1-9,11,13H,10,12H2,(H,27,28)
InChIKeyFDXONOITJHCJBL-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide (CID 118121338) is N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCc1ccc(-c2ccccn2)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is FDXONOITJHCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O/c22-18-13-15(19-7-3-4-11-26-19)9-8-14(18)10-12-27-20(28)16-5-1-2-6-17(16)21(23,24)25/h1-9,11,13H,10,12H2,(H,27,28).
What are the key properties of N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 404.82 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-pyridin-2-ylphenyl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118121338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).