N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C21H16ClF3N2O — CID 59673168

IUPACN-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NCCc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C21H16ClF3N2O/c22-18-4-2-1-3-14(18)9-11-27-20(28)16-7-5-15(6-8-16)19-13-17(10-12-26-19)21(23,24)25/h1-8,10,12-13H,9,11H2,(H,27,28)
InChIKeyCGCYHTBJRRFOAC-UHFFFAOYSA-N
MW404.82 g/mol
LogP5.39
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673168) has the molecular formula C21H16ClF3N2O and a molecular weight of 404.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673168
Molecular FormulaC21H16ClF3N2O
Molecular Weight404.82 g/mol
Exact Mass404.09
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NCCc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C21H16ClF3N2O/c22-18-4-2-1-3-14(18)9-11-27-20(28)16-7-5-15(6-8-16)19-13-17(10-12-26-19)21(23,24)25/h1-8,10,12-13H,9,11H2,(H,27,28)
InChIKeyCGCYHTBJRRFOAC-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-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673168) is N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(NCCc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is CGCYHTBJRRFOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O/c22-18-4-2-1-3-14(18)9-11-27-20(28)16-7-5-15(6-8-16)19-13-17(10-12-26-19)21(23,24)25/h1-8,10,12-13H,9,11H2,(H,27,28).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[2-(2-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]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-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).